ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:20 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 0.79 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 1.34 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.08 0.03 1.38 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.01 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:00 Hydrogen (TZP) c10-22 c10-22 c10-22 c10-22 c10-22 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.04 2.13 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:00 Nodes: 1 Procs: 1 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:30 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2369.5382000000013 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245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.252 -6.222 -6.192 -6.142 -6.114 -6.107 -6.062 -6.017 -5.840 -5.802 -3.430 -3.212 -2.986 -2.871 -2.862 -2.668 -2.612 -2.590 -2.534 -2.447 A A A A A A A A A A A A A A A A A A A A 0.00000000073030 0.00040371981494 0.00027092227258 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 42 42 42 42 33 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 0.091304 -2.602673 2.558680 0.105342 2.517704 -2.541598 -0.065665 2.602115 2.522275 -2.528427 -0.247371 -2.726591 -0.070979 -0.080245 -0.073155 2.458271 -2.623051 0.020510 2.605960 2.525785 -0.144793 -2.572671 2.469666 0.079148 -2.610667 -2.502556 -0.115296 -2.499669 0.141118 2.614920 2.525520 -0.144802 2.554458 2.493018 -0.020267 -2.635885 0.938233 -1.040597 0.924534 -1.068703 -1.043390 -1.039218 0.969805 0.892893 -1.024242 -0.972049 0.952062 0.962928 -2.974527 -1.119004 1.155057 2.991996 -1.177193 -1.151485 -3.014844 1.146884 -1.089890 2.976146 1.179720 1.193830 1.326536 -1.130817 -3.317914 1.104810 1.143275 2.997947 -1.162023 1.148170 -3.009174 -1.162993 -1.145986 3.050903 -1.134214 2.999699 -1.105477 -1.188495 -3.003278 1.217961 1.160007 3.041856 1.164947 1.192814 -3.261239 -1.043837 3.372388 -1.483428 1.559579 -3.462159 -1.587029 -1.563159 3.445616 1.550965 -1.462853 -3.420636 1.505956 1.571642 1.455569 -1.481266 3.456226 1.551861 1.571469 -3.398535 -1.515782 1.519736 3.462862 -1.838508 -1.417000 -3.820160 -1.572475 -3.669344 -1.265374 -1.518422 3.389114 1.551946 1.536364 -3.431686 1.619501 1.496642 3.419177 -1.456008 -0.242747 -3.770421 3.793007 3.870422 -0.152867 -3.714501 -0.221891 3.750043 -3.713127 0.251591 3.781971 3.753701 3.783361 -3.754086 -0.163131 3.778936 3.762364 0.220711 -3.763909 3.718202 -0.206010 -3.882937 -3.628312 0.267855 -3.891510 0.359834 -3.631023 -3.726301 -0.208009 3.802094 3.705221 0.205187 3.788858 -0.596029 -3.448348 -1.259345 1 3 -3 0.091304 -2.602673 2.558680 Rho 0.1240649E+06 3,-3 2 3 -3 0.105342 2.517704 -2.541598 Rho 0.1240648E+06 3,-3 3 3 -3 -0.065665 2.602115 2.522275 Rho 0.1240649E+06 3,-3 4 3 -3 -2.528427 -0.247371 -2.726591 Rho 0.1240647E+06 3,-3 5 3 -3 -0.070979 -0.080245 -0.073155 Rho 0.4276087E+05 3,-3 6 3 -3 2.458271 -2.623051 0.020510 Rho 0.4361414E+07 3,-3 7 3 -3 2.605960 2.525785 -0.144793 Rho 0.4361415E+07 3,-3 8 3 -3 -2.572671 2.469666 0.079148 Rho 0.4361414E+07 3,-3 9 3 -3 -2.610667 -2.502556 -0.115296 Rho 0.4361414E+07 3,-3 10 3 -3 -2.499669 0.141118 2.614920 Rho 0.4361414E+07 3,-3 11 3 -3 2.525520 -0.144802 2.554458 Rho 0.4361414E+07 3,-3 12 3 -3 2.493018 -0.020267 -2.635885 Rho 0.4361415E+07 3,-3 13 3 -3 0.938233 -1.040597 0.924534 Rho 0.3190217E+03 3,-3 14 3 -3 -1.068703 -1.043390 -1.039218 Rho 0.3190879E+03 3,-3 15 3 -3 0.969805 0.892893 -1.024242 Rho 0.3190308E+03 3,-3 16 3 -3 -0.972049 0.952062 0.962928 Rho 0.3190156E+03 3,-3 17 3 -3 -2.974527 -1.119004 1.155057 Rho 0.3188770E+03 3,-3 18 3 -3 2.991996 -1.177193 -1.151485 Rho 0.3188104E+03 3,-3 19 3 -3 -3.014844 1.146884 -1.089890 Rho 0.3190444E+03 3,-3 20 3 -3 2.976146 1.179720 1.193830 Rho 0.3188483E+03 3,-3 21 3 -3 1.326536 -1.130817 -3.317914 Rho 0.3193404E+03 3,-3 22 3 -3 1.104810 1.143275 2.997947 Rho 0.3189456E+03 3,-3 23 3 -3 -1.162023 1.148170 -3.009174 Rho 0.3189679E+03 3,-3 24 3 -3 -1.162993 -1.145986 3.050903 Rho 0.3189319E+03 3,-3 25 3 -3 -1.134214 2.999699 -1.105477 Rho 0.3189300E+03 3,-3 26 3 -3 -1.188495 -3.003278 1.217961 Rho 0.3189651E+03 3,-3 27 3 -3 1.160007 3.041856 1.164947 Rho 0.3189776E+03 3,-3 28 3 -3 1.192814 -3.261239 -1.043837 Rho 0.3192297E+03 3,-3 29 3 -3 3.372388 -1.483428 1.559579 Rho 0.3190061E+03 3,-3 30 3 -3 -3.462159 -1.587029 -1.563159 Rho 0.3189781E+03 3,-3 31 3 -3 3.445616 1.550965 -1.462853 Rho 0.3190413E+03 3,-3 32 3 -3 -3.420636 1.505956 1.571642 Rho 0.3189447E+03 3,-3 33 3 -3 1.455569 -1.481266 3.456226 Rho 0.3189976E+03 3,-3 34 3 -3 1.551861 1.571469 -3.398535 Rho 0.3190117E+03 3,-3 35 3 -3 -1.515782 1.519736 3.462862 Rho 0.3190092E+03 3,-3 36 3 -3 -1.838508 -1.417000 -3.820160 Rho 0.3194365E+03 3,-3 37 3 -3 -1.572475 -3.669344 -1.265374 Rho 0.3187264E+03 3,-3 38 3 -3 -1.518422 3.389114 1.551946 Rho 0.3190380E+03 3,-3 39 3 -3 1.536364 -3.431686 1.619501 Rho 0.3190229E+03 3,-3 40 3 -3 1.496642 3.419177 -1.456008 Rho 0.3189970E+03 3,-3 41 3 -3 -0.242747 -3.770421 3.793007 Rho 0.3194414E+03 3,-3 42 3 -3 3.870422 -0.152867 -3.714501 Rho 0.3192502E+03 3,-3 43 3 -3 -0.221891 3.750043 -3.713127 Rho 0.3194477E+03 3,-3 44 3 -3 0.251591 3.781971 3.753701 Rho 0.3194226E+03 3,-3 45 3 -3 3.783361 -3.754086 -0.163131 Rho 0.3192610E+03 3,-3 46 3 -3 3.778936 3.762364 0.220711 Rho 0.3192943E+03 3,-3 47 3 -3 -3.763909 3.718202 -0.206010 Rho 0.3192731E+03 3,-3 48 3 -3 -3.882937 -3.628312 0.267855 Rho 0.3193125E+03 3,-3 49 3 -3 -3.891510 0.359834 -3.631023 Rho 0.3193960E+03 3,-3 50 3 -3 -3.726301 -0.208009 3.802094 Rho 0.3193013E+03 3,-3 51 3 -3 3.705221 0.205187 3.788858 Rho 0.3192946E+03 3,-3 52 3 -3 -0.596029 -3.448348 -1.259345 Rho 0.4353054E+00 3,-3 53 3 +1 -2.174890 1.208052 1.246072 Rho 0.2829538E-01 |GRAD(Rho)| 0.6780655E-12 GRAD(Rho)x -0.6333910E-12 GRAD(Rho)y 0.6024872E-13 GRAD(Rho)z 0.2344330E-12 Laplacian 0.1130238E+00 (-1/4)Del**2(Rho)) -0.2825595E-01 Diamond 0.1833676E-01 Metallicity 0.1601902E+01 Ellipticity -0.5914666E+01 Gb(Abramov) 0.2638117E-01 Vb(Abramov) -0.2450640E-01 Hb(Abramov) 0.1874775E-02 Ex_ueg -0.6368039E-02 Ec_ueg -0.1256021E-02 Delta_ex -0.7340983E-02 Delta_ec 0.2050395E-02 Delta_et -0.1863159E-01 Pxc 0.5070011E+01 Qxc -0.3580277E+01 3,+1 54 3 +1 -1.667075 -0.536543 0.532163 Rho 0.9995461E-02 |GRAD(Rho)| 0.3689818E-16 GRAD(Rho)x 0.1344491E-16 GRAD(Rho)y -0.5884219E-17 GRAD(Rho)z -0.3385390E-16 Laplacian 0.3825946E-01 (-1/4)Del**2(Rho)) -0.9564864E-02 Diamond 0.1266171E-02 Metallicity 0.8353705E+00 Ellipticity -0.1548810E+01 Gb(Abramov) 0.7708277E-02 Vb(Abramov) -0.5851690E-02 Hb(Abramov) 0.1856587E-02 Ex_ueg -0.1590214E-02 Ec_ueg -0.3678417E-03 Delta_ex -0.1819497E-02 Delta_ec 0.5443944E-03 Delta_et -0.3862185E-02 Pxc 0.4323093E+01 Qxc -0.3342241E+01 3,+1 55 3 -1 -2.910566 0.062683 0.082838 Rho 0.6221313E-02 |GRAD(Rho)| 0.3177773E-17 GRAD(Rho)x -0.2071878E-18 GRAD(Rho)y 0.2673589E-17 GRAD(Rho)z -0.1705062E-17 Laplacian 0.2492362E-01 (-1/4)Del**2(Rho)) -0.6230904E-02 Diamond 0.8894374E-03 Metallicity 0.5818426E+00 Ellipticity 0.1671905E+01 Gb(Abramov) 0.4758171E-02 Vb(Abramov) -0.3285437E-02 Hb(Abramov) 0.1472734E-02 Ex_ueg -0.8450735E-03 Ec_ueg -0.1998437E-03 Delta_ex -0.1369466E-02 Delta_ec 0.9205559E-03 Delta_et -0.5284518E-02 Pxc 0.4228673E+01 Qxc -0.1487651E+01 3,-1 56 3 +1 -2.898608 0.197964 0.229457 Rho 0.6185147E-02 |GRAD(Rho)| 0.6474063E-17 GRAD(Rho)x -0.9486325E-18 GRAD(Rho)y 0.7975611E-18 GRAD(Rho)z -0.6354328E-17 Laplacian 0.2578818E-01 (-1/4)Del**2(Rho)) -0.6447045E-02 Diamond 0.7344956E-03 Metallicity 0.5568982E+00 Ellipticity -0.2622482E+01 Gb(Abramov) 0.4896421E-02 Vb(Abramov) -0.3345798E-02 Hb(Abramov) 0.1550624E-02 Ex_ueg -0.8385296E-03 Ec_ueg -0.1982657E-03 Delta_ex -0.1290523E-02 Delta_ec 0.7295022E-03 Delta_et -0.4254947E-02 Pxc 0.4229323E+01 Qxc -0.1769046E+01 3,+1 57 3 +1 -1.751665 -1.734076 1.790511 Rho 0.1235299E-01 |GRAD(Rho)| 0.6916108E-17 GRAD(Rho)x -0.1880105E-17 GRAD(Rho)y 0.6653701E-17 GRAD(Rho)z -0.1613217E-18 Laplacian 0.6186747E-01 (-1/4)Del**2(Rho)) -0.1546687E-01 Diamond 0.2544786E-02 Metallicity 0.7352541E+00 Ellipticity -0.1243963E+01 Gb(Abramov) 0.1220659E-01 Vb(Abramov) -0.8946315E-02 Hb(Abramov) 0.3260276E-02 Ex_ueg -0.2109022E-02 Ec_ueg -0.4758886E-03 Delta_ex -0.3054748E-02 Delta_ec 0.7857521E-03 Delta_et -0.5946775E-02 Pxc 0.4431755E+01 Qxc -0.3887674E+01 3,+1 58 3 +1 2.908307 0.111098 -0.095271 Rho 0.4909329E-02 |GRAD(Rho)| 0.4566888E-17 GRAD(Rho)x 0.1404016E-18 GRAD(Rho)y -0.4509996E-17 GRAD(Rho)z -0.7047625E-18 Laplacian 0.1984722E-01 (-1/4)Del**2(Rho)) -0.4961806E-02 Diamond 0.4691171E-03 Metallicity 0.4923610E+00 Ellipticity -0.4766089E+01 Gb(Abramov) 0.3715037E-02 Vb(Abramov) -0.2468269E-02 Hb(Abramov) 0.1246769E-02 Ex_ueg -0.6162372E-03 Ec_ueg -0.1430129E-03 Delta_ex -0.9999863E-03 Delta_ec 0.6547460E-03 Delta_et -0.3524267E-02 Pxc 0.4308961E+01 Qxc -0.1527289E+01 3,+1 59 3 -1 -1.703143 0.534441 1.750305 Rho 0.4746773E-01 |GRAD(Rho)| 0.2389478E-13 GRAD(Rho)x -0.2103713E-13 GRAD(Rho)y 0.1273327E-14 GRAD(Rho)z 0.1125959E-13 Laplacian 0.1899491E+00 (-1/4)Del**2(Rho)) -0.4748728E-01 Diamond 0.8879616E-01 Metallicity 0.2257564E+01 Ellipticity 0.1326689E-01 Gb(Abramov) 0.4952578E-01 Vb(Abramov) -0.5156428E-01 Hb(Abramov) -0.2038502E-02 Ex_ueg -0.1269355E-01 Ec_ueg -0.2275385E-02 Delta_ex -0.1538954E-01 Delta_ec 0.5585574E-02 Delta_et -0.5808326E-01 Pxc 0.5578638E+01 Qxc -0.2755229E+01 3,-1 60 3 -1 -3.298054 -3.111074 0.090250 Rho 0.2408730E+00 |GRAD(Rho)| 0.7508829E-15 GRAD(Rho)x 0.5644357E-15 GRAD(Rho)y 0.4923362E-15 GRAD(Rho)z -0.5331564E-16 Laplacian 0.9035605E+00 (-1/4)Del**2(Rho)) -0.2258901E+00 Diamond 0.3188676E+01 Metallicity 0.7111634E+01 Ellipticity 0.9107169E-03 Gb(Abramov) 0.4183348E+00 Vb(Abramov) -0.6107794E+00 Hb(Abramov) -0.1924446E+00 Ex_ueg -0.1106885E+00 Ec_ueg -0.1449948E-01 Delta_ex -0.1091611E+00 Delta_ec 0.1974072E-01 Delta_et -0.2725975E+00 Pxc 0.7633963E+01 Qxc -0.5529740E+01 3,-1 61 3 +1 -0.178415 2.940959 0.220140 Rho 0.5659036E-02 |GRAD(Rho)| 0.5318848E-12 GRAD(Rho)x -0.3577258E-12 GRAD(Rho)y 0.1320252E-12 GRAD(Rho)z 0.3708141E-12 Laplacian 0.2360333E-01 (-1/4)Del**2(Rho)) -0.5900832E-02 Diamond 0.6149103E-03 Metallicity 0.5246592E+00 Ellipticity -0.2506960E+01 Gb(Abramov) 0.4449876E-02 Vb(Abramov) -0.2998919E-02 Hb(Abramov) 0.1450956E-02 Ex_ueg -0.7448034E-03 Ec_ueg -0.1753831E-03 Delta_ex -0.1174426E-02 Delta_ec 0.6937100E-03 Delta_et -0.3929680E-02 Pxc 0.4246722E+01 Qxc -0.1692964E+01 3,+1 62 3 -1 -3.045478 -2.005467 -0.889801 Rho 0.1544588E+00 |GRAD(Rho)| 0.6261738E-13 GRAD(Rho)x -0.5418918E-13 GRAD(Rho)y -0.3005524E-13 GRAD(Rho)z 0.9008419E-14 Laplacian 0.6004309E+00 (-1/4)Del**2(Rho)) -0.1501077E+00 Diamond 0.1265010E+01 Metallicity 0.5103144E+01 Ellipticity 0.7137828E-01 Gb(Abramov) 0.2277420E+00 Vb(Abramov) -0.3053763E+00 Hb(Abramov) -0.7763431E-01 Ex_ueg -0.6120711E-01 Ec_ueg -0.8729548E-02 Delta_ex -0.6499220E-01 Delta_ec 0.1520322E-01 Delta_et -0.2033882E+00 Pxc 0.7011486E+01 Qxc -0.4274897E+01 3,-1 63 3 -1 -3.000668 -0.948174 -2.100237 Rho 0.1160653E+00 |GRAD(Rho)| 0.5108508E-13 GRAD(Rho)x -0.4096417E-13 GRAD(Rho)y 0.7884610E-14 GRAD(Rho)z -0.2948652E-13 Laplacian 0.4368540E+00 (-1/4)Del**2(Rho)) -0.1092135E+00 Diamond 0.6561865E+00 Metallicity 0.4356264E+01 Ellipticity 0.3313288E-01 Gb(Abramov) 0.1521028E+00 Vb(Abramov) -0.1949921E+00 Hb(Abramov) -0.4288930E-01 Ex_ueg -0.4181399E-01 Ec_ueg -0.6308111E-02 Delta_ex -0.4417539E-01 Delta_ec 0.1193016E-01 Delta_et -0.1526635E+00 Pxc 0.6628607E+01 Qxc -0.3702834E+01 3,-1 64 3 +1 -2.892341 -0.289265 -0.306506 Rho 0.5759600E-02 |GRAD(Rho)| 0.7865072E-17 GRAD(Rho)x 0.4549524E-18 GRAD(Rho)y 0.6457212E-17 GRAD(Rho)z -0.4467302E-17 Laplacian 0.2387196E-01 (-1/4)Del**2(Rho)) -0.5967989E-02 Diamond 0.4831563E-03 Metallicity 0.5342103E+00 Ellipticity -0.1431158E+01 Gb(Abramov) 0.4510020E-02 Vb(Abramov) -0.3052050E-02 Hb(Abramov) 0.1457970E-02 Ex_ueg -0.7625028E-03 Ec_ueg -0.1797465E-03 Delta_ex -0.1073841E-02 Delta_ec 0.4906173E-03 Delta_et -0.2883535E-02 Pxc 0.4242101E+01 Qxc -0.2188755E+01 3,+1 65 3 -1 -3.216210 3.143974 -0.074078 Rho 0.2364663E+00 |GRAD(Rho)| 0.1962459E-11 GRAD(Rho)x 0.1339053E-11 GRAD(Rho)y -0.1396568E-11 GRAD(Rho)z 0.3282974E-12 Laplacian 0.8733669E+00 (-1/4)Del**2(Rho)) -0.2183417E+00 Diamond 0.3022517E+01 Metallicity 0.7134526E+01 Ellipticity 0.7746949E-02 Gb(Abramov) 0.4051886E+00 Vb(Abramov) -0.5920355E+00 Hb(Abramov) -0.1868469E+00 Ex_ueg -0.1079967E+00 Ec_ueg -0.1419518E-01 Delta_ex -0.1050494E+00 Delta_ec 0.1926496E-01 Delta_et -0.2662202E+00 Pxc 0.7607988E+01 Qxc -0.5452875E+01 3,-1 66 3 +1 -1.749927 1.718544 -1.737742 Rho 0.1140095E-01 |GRAD(Rho)| 0.6570839E-12 GRAD(Rho)x 0.2964534E-12 GRAD(Rho)y 0.5842043E-12 GRAD(Rho)z -0.5079405E-13 Laplacian 0.5572115E-01 (-1/4)Del**2(Rho)) -0.1393029E-01 Diamond 0.2112979E-02 Metallicity 0.7142140E+00 Ellipticity -0.1284906E+01 Gb(Abramov) 0.1094506E-01 Vb(Abramov) -0.7959832E-02 Hb(Abramov) 0.2985228E-02 Ex_ueg -0.1895134E-02 Ec_ueg -0.4319860E-03 Delta_ex -0.2712039E-02 Delta_ec 0.7407108E-03 Delta_et -0.5471032E-02 Pxc 0.4387027E+01 Qxc -0.3661401E+01 3,+1 67 3 -1 -0.001305 2.951291 0.044546 Rho 0.5712722E-02 |GRAD(Rho)| 0.7988992E-17 GRAD(Rho)x -0.4491621E-17 GRAD(Rho)y 0.5793375E-17 GRAD(Rho)z -0.3175868E-17 Laplacian 0.2294078E-01 (-1/4)Del**2(Rho)) -0.5735195E-02 Diamond 0.7525967E-03 Metallicity 0.5483739E+00 Ellipticity 0.2254051E+01 Gb(Abramov) 0.4347635E-02 Vb(Abramov) -0.2960075E-02 Hb(Abramov) 0.1387560E-02 Ex_ueg -0.7542393E-03 Ec_ueg -0.1777119E-03 Delta_ex -0.1258145E-02 Delta_ec 0.8786912E-03 Delta_et -0.4904482E-02 Pxc 0.4244169E+01 Qxc -0.1431840E+01 3,-1 68 3 -1 -2.736029 -0.526414 1.837662 Rho 0.1249802E+00 |GRAD(Rho)| 0.1355549E-12 GRAD(Rho)x -0.3076436E-13 GRAD(Rho)y -0.8598414E-13 GRAD(Rho)z -0.1001769E-12 Laplacian 0.5213450E+00 (-1/4)Del**2(Rho)) -0.1303363E+00 Diamond 0.8519127E+00 Metallicity 0.4129428E+01 Ellipticity 0.1160113E-01 Gb(Abramov) 0.1765932E+00 Vb(Abramov) -0.2228502E+00 Hb(Abramov) -0.4625695E-01 Ex_ueg -0.4615017E-01 Ec_ueg -0.6861696E-02 Delta_ex -0.5360416E-01 Delta_ec 0.1390253E-01 Delta_et -0.1800752E+00 Pxc 0.6725767E+01 Qxc -0.3855713E+01 3,-1 69 3 -1 -3.162736 -0.046866 3.256326 Rho 0.2405887E+00 |GRAD(Rho)| 0.1170490E-10 GRAD(Rho)x -0.8242496E-11 GRAD(Rho)y -0.2344494E-11 GRAD(Rho)z 0.7973029E-11 Laplacian 0.8852145E+00 (-1/4)Del**2(Rho)) -0.2213036E+00 Diamond 0.3132032E+01 Metallicity 0.7244749E+01 Ellipticity 0.1496505E-02 Gb(Abramov) 0.4147506E+00 Vb(Abramov) -0.6081976E+00 Hb(Abramov) -0.1934470E+00 Ex_ueg -0.1105144E+00 Ec_ueg -0.1447982E-01 Delta_ex -0.1069781E+00 Delta_ec 0.1946548E-01 Delta_et -0.2693188E+00 Pxc 0.7632303E+01 Qxc -0.5495787E+01 3,-1 70 3 -1 -3.257403 0.077051 -3.208306 Rho 0.2230318E+00 |GRAD(Rho)| 0.1406760E-12 GRAD(Rho)x 0.1090339E-12 GRAD(Rho)y -0.5065647E-13 GRAD(Rho)z 0.7304292E-13 Laplacian 0.8184735E+00 (-1/4)Del**2(Rho)) -0.2046184E+00 Diamond 0.2655526E+01 Metallicity 0.6905894E+01 Ellipticity 0.1982721E-01 Gb(Abramov) 0.3719244E+00 Vb(Abramov) -0.5392304E+00 Hb(Abramov) -0.1673060E+00 Ex_ueg -0.9989433E-01 Ec_ueg -0.1327404E-01 Delta_ex -0.9705120E-01 Delta_ec 0.1852664E-01 Delta_et -0.2560278E+00 Pxc 0.7525539E+01 Qxc -0.5238466E+01 3,-1 71 3 +1 -0.539968 -0.580322 1.665890 Rho 0.8227547E-02 |GRAD(Rho)| 0.9407815E-15 GRAD(Rho)x 0.7833171E-15 GRAD(Rho)y 0.3794161E-15 GRAD(Rho)z 0.3571100E-15 Laplacian 0.3213182E-01 (-1/4)Del**2(Rho)) -0.8032955E-02 Diamond 0.8079349E-03 Metallicity 0.7191096E+00 Ellipticity -0.1422356E+01 Gb(Abramov) 0.6318066E-02 Vb(Abramov) -0.4603177E-02 Hb(Abramov) 0.1714889E-02 Ex_ueg -0.1226720E-02 Ec_ueg -0.2883465E-03 Delta_ex -0.1450806E-02 Delta_ec 0.4507664E-03 Delta_et -0.3047180E-02 Pxc 0.4254327E+01 Qxc -0.3218532E+01 3,+1 72 3 -1 -2.768938 0.480048 -1.865257 Rho 0.6913739E-01 |GRAD(Rho)| 0.4892785E-13 GRAD(Rho)x 0.3639466E-13 GRAD(Rho)y 0.5023226E-14 GRAD(Rho)z -0.3231300E-13 Laplacian 0.2941898E+00 (-1/4)Del**2(Rho)) -0.7354746E-01 Diamond 0.2342006E+00 Metallicity 0.2727976E+01 Ellipticity 0.6651177E-02 Gb(Abramov) 0.8247092E-01 Vb(Abramov) -0.9139438E-01 Hb(Abramov) -0.8923461E-02 Ex_ueg -0.2095732E-01 Ec_ueg -0.3497254E-02 Delta_ex -0.2636953E-01 Delta_ec 0.8869007E-02 Delta_et -0.1016197E+00 Pxc 0.5992507E+01 Qxc -0.2973222E+01 3,-1 73 3 -1 -2.972953 0.864616 2.046750 Rho 0.1408608E+00 |GRAD(Rho)| 0.6267499E-16 GRAD(Rho)x -0.1955630E-16 GRAD(Rho)y -0.1859407E-16 GRAD(Rho)z -0.5656825E-16 Laplacian 0.5561647E+00 (-1/4)Del**2(Rho)) -0.1390412E+00 Diamond 0.1045058E+01 Metallicity 0.4724907E+01 Ellipticity 0.4391891E-01 Gb(Abramov) 0.2021869E+00 Vb(Abramov) -0.2653326E+00 Hb(Abramov) -0.6314571E-01 Ex_ueg -0.5413006E-01 Ec_ueg -0.7861064E-02 Delta_ex -0.5881437E-01 Delta_ec 0.1433049E-01 Delta_et -0.1890413E+00 Pxc 0.6885844E+01 Qxc -0.4104141E+01 3,-1 74 3 -1 -2.796957 1.754953 -0.548585 Rho 0.1928064E+00 |GRAD(Rho)| 0.1620827E-14 GRAD(Rho)x -0.1500156E-14 GRAD(Rho)y -0.5658451E-15 GRAD(Rho)z -0.2375487E-15 Laplacian 0.7858674E+00 (-1/4)Del**2(Rho)) -0.1964668E+00 Diamond 0.2120455E+01 Metallicity 0.5642432E+01 Ellipticity 0.1659342E-01 Gb(Abramov) 0.3157363E+00 Vb(Abramov) -0.4350059E+00 Hb(Abramov) -0.1192695E+00 Ex_ueg -0.8226472E-01 Ec_ueg -0.1123807E-01 Delta_ex -0.8962621E-01 Delta_ec 0.1827203E-01 Delta_et -0.2490590E+00 Pxc 0.7320184E+01 Qxc -0.4905104E+01 3,-1 75 3 +1 -1.995789 2.002848 2.041727 Rho 0.1238077E-01 |GRAD(Rho)| 0.2540224E-12 GRAD(Rho)x -0.6714266E-13 GRAD(Rho)y -0.2322369E-12 GRAD(Rho)z 0.7800823E-13 Laplacian 0.5801279E-01 (-1/4)Del**2(Rho)) -0.1450320E-01 Diamond 0.1876815E-02 Metallicity 0.7870498E+00 Ellipticity -0.1103304E+01 Gb(Abramov) 0.1157125E-01 Vb(Abramov) -0.8639312E-02 Hb(Abramov) 0.2931943E-02 Ex_ueg -0.2115349E-02 Ec_ueg -0.4771751E-03 Delta_ex -0.2722881E-02 Delta_ec 0.4810406E-03 Delta_et -0.3840082E-02 Pxc 0.4433066E+01 Qxc -0.5660397E+01 3,+1 76 3 -1 -3.004372 1.949558 0.873318 Rho 0.1343248E+00 |GRAD(Rho)| 0.2309782E-15 GRAD(Rho)x -0.5778120E-16 GRAD(Rho)y 0.1001803E-15 GRAD(Rho)z -0.1999404E-15 Laplacian 0.5229005E+00 (-1/4)Del**2(Rho)) -0.1307251E+00 Diamond 0.9343807E+00 Metallicity 0.4642884E+01 Ellipticity 0.3182767E-01 Gb(Abramov) 0.1883070E+00 Vb(Abramov) -0.2458889E+00 Hb(Abramov) -0.5758189E-01 Ex_ueg -0.5080737E-01 Ec_ueg -0.7447759E-02 Delta_ex -0.5473518E-01 Delta_ec 0.1376010E-01 Delta_et -0.1804542E+00 Pxc 0.6821833E+01 Qxc -0.3977818E+01 3,-1 77 3 -1 -2.034493 -3.106725 -0.716718 Rho 0.1474090E+00 |GRAD(Rho)| 0.6001268E-13 GRAD(Rho)x 0.5019116E-13 GRAD(Rho)y 0.3103034E-13 GRAD(Rho)z -0.1093099E-13 Laplacian 0.5488556E+00 (-1/4)Del**2(Rho)) -0.1372139E+00 Diamond 0.1115389E+01 Metallicity 0.5164501E+01 Ellipticity 0.1160629E+00 Gb(Abramov) 0.2095828E+00 Vb(Abramov) -0.2819517E+00 Hb(Abramov) -0.7236891E-01 Ex_ueg -0.5751092E-01 Ec_ueg -0.8277859E-02 Delta_ex -0.5895710E-01 Delta_ec 0.1446234E-01 Delta_et -0.1931225E+00 Pxc 0.6947560E+01 Qxc -0.4076594E+01 3,-1 78 3 +1 -0.617632 -1.687810 0.520763 Rho 0.8996491E-02 |GRAD(Rho)| 0.6017061E-13 GRAD(Rho)x -0.2341990E-13 GRAD(Rho)y -0.4213817E-13 GRAD(Rho)z 0.3600536E-13 Laplacian 0.3422157E-01 (-1/4)Del**2(Rho)) -0.8555392E-02 Diamond 0.9825071E-03 Metallicity 0.7836133E+00 Ellipticity -0.1506566E+01 Gb(Abramov) 0.6820948E-02 Vb(Abramov) -0.5086504E-02 Hb(Abramov) 0.1734444E-02 Ex_ueg -0.1381919E-02 Ec_ueg -0.3227549E-03 Delta_ex -0.1585024E-02 Delta_ec 0.4881093E-03 Delta_et -0.3369786E-02 Pxc 0.4281636E+01 Qxc -0.3247272E+01 3,+1 79 3 +1 -0.069121 -2.281108 -1.016721 Rho 0.6721898E-02 |GRAD(Rho)| 0.9738806E-16 GRAD(Rho)x 0.5942424E-16 GRAD(Rho)y 0.7708147E-16 GRAD(Rho)z 0.3411656E-17 Laplacian 0.2638910E-01 (-1/4)Del**2(Rho)) -0.6597276E-02 Diamond 0.9054027E-03 Metallicity 0.6251848E+00 Ellipticity -0.4559730E+01 Gb(Abramov) 0.5085603E-02 Vb(Abramov) -0.3573931E-02 Hb(Abramov) 0.1511672E-02 Ex_ueg -0.9369311E-03 Ec_ueg -0.2217494E-03 Delta_ex -0.1384006E-02 Delta_ec 0.8186542E-03 Delta_et -0.4862632E-02 Pxc 0.4225179E+01 Qxc -0.1690586E+01 3,+1 80 3 -1 -1.853520 -2.750904 0.589152 Rho 0.1170792E+00 |GRAD(Rho)| 0.4576782E-15 GRAD(Rho)x 0.3416186E-15 GRAD(Rho)y -0.9171673E-17 GRAD(Rho)z 0.3044372E-15 Laplacian 0.4816563E+00 (-1/4)Del**2(Rho)) -0.1204141E+00 Diamond 0.7277974E+00 Metallicity 0.4008750E+01 Ellipticity 0.2336164E-01 Gb(Abramov) 0.1607277E+00 Vb(Abramov) -0.2010413E+00 Hb(Abramov) -0.4031363E-01 Ex_ueg -0.4230173E-01 Ec_ueg -0.6370792E-02 Delta_ex -0.4876066E-01 Delta_ec 0.1304581E-01 Delta_et -0.1670748E+00 Pxc 0.6639949E+01 Qxc -0.3737648E+01 3,-1 81 3 +1 0.082273 -3.049176 0.166968 Rho 0.5373759E-02 |GRAD(Rho)| 0.5805240E-17 GRAD(Rho)x 0.2685800E-17 GRAD(Rho)y -0.3038520E-17 GRAD(Rho)z 0.4153876E-17 Laplacian 0.2152664E-01 (-1/4)Del**2(Rho)) -0.5381661E-02 Diamond 0.5660639E-03 Metallicity 0.5277567E+00 Ellipticity -0.4628669E+01 Gb(Abramov) 0.4061142E-02 Vb(Abramov) -0.2740623E-02 Hb(Abramov) 0.1320519E-02 Ex_ueg -0.6951672E-03 Ec_ueg -0.1630324E-03 Delta_ex -0.1096290E-02 Delta_ec 0.6973816E-03 Delta_et -0.3862368E-02 Pxc 0.4263980E+01 Qxc -0.1572009E+01 3,+1 82 3 -1 -1.799588 -1.731580 -0.561620 Rho 0.5687121E-01 |GRAD(Rho)| 0.5124835E-16 GRAD(Rho)x -0.3796402E-17 GRAD(Rho)y -0.4995885E-16 GRAD(Rho)z -0.1077468E-16 Laplacian 0.2278539E+00 (-1/4)Del**2(Rho)) -0.5696348E-01 Diamond 0.1371134E+00 Metallicity 0.2543572E+01 Ellipticity 0.1642807E-01 Gb(Abramov) 0.6212411E-01 Vb(Abramov) -0.6728474E-01 Hb(Abramov) -0.5160629E-02 Ex_ueg -0.1615257E-01 Ec_ueg -0.2798068E-02 Delta_ex -0.1935845E-01 Delta_ec 0.6750787E-02 Delta_et -0.7358094E-01 Pxc 0.5772760E+01 Qxc -0.2867584E+01 3,-1 83 3 -1 0.029192 -2.190363 -0.987908 Rho 0.6734557E-02 |GRAD(Rho)| 0.1409399E-16 GRAD(Rho)x -0.1407110E-16 GRAD(Rho)y 0.7884877E-18 GRAD(Rho)z 0.1515948E-18 Laplacian 0.2623550E-01 (-1/4)Del**2(Rho)) -0.6558876E-02 Diamond 0.1028790E-02 Metallicity 0.6308200E+00 Ellipticity 0.3623337E+01 Gb(Abramov) 0.5062162E-02 Vb(Abramov) -0.3565449E-02 Hb(Abramov) 0.1496714E-02 Ex_ueg -0.9392844E-03 Ec_ueg -0.2223049E-03 Delta_ex -0.1455363E-02 Delta_ec 0.9547371E-03 Delta_et -0.5618906E-02 Pxc 0.4225207E+01 Qxc -0.1524360E+01 3,-1 84 3 -1 -2.786319 -1.764191 0.565482 Rho 0.1496691E+00 |GRAD(Rho)| 0.9838390E-12 GRAD(Rho)x -0.2090905E-12 GRAD(Rho)y -0.5473989E-12 GRAD(Rho)z -0.7903004E-12 Laplacian 0.6296746E+00 (-1/4)Del**2(Rho)) -0.1574187E+00 Diamond 0.1265785E+01 Metallicity 0.4617257E+01 Ellipticity 0.1726604E-01 Gb(Abramov) 0.2260862E+00 Vb(Abramov) -0.2947537E+00 Hb(Abramov) -0.6866751E-01 Ex_ueg -0.5868963E-01 Ec_ueg -0.8422337E-02 Delta_ex -0.6751579E-01 Delta_ec 0.1586251E-01 Delta_et -0.2108145E+00 Pxc 0.6968331E+01 Qxc -0.4256313E+01 3,-1 85 3 -1 -1.736718 1.676458 0.512672 Rho 0.4938795E-01 |GRAD(Rho)| 0.8180208E-16 GRAD(Rho)x 0.7014661E-16 GRAD(Rho)y -0.3461866E-16 GRAD(Rho)z 0.2392868E-16 Laplacian 0.1976344E+00 (-1/4)Del**2(Rho)) -0.4940860E-01 Diamond 0.9775634E-01 Metallicity 0.2318030E+01 Ellipticity 0.1358315E-01 Gb(Abramov) 0.5202750E-01 Vb(Abramov) -0.5464640E-01 Hb(Abramov) -0.2618900E-02 Ex_ueg -0.1338278E-01 Ec_ueg -0.2381070E-02 Delta_ex -0.1618385E-01 Delta_ec 0.5829310E-02 Delta_et -0.6125493E-01 Pxc 0.5620491E+01 Qxc -0.2776289E+01 3,-1 86 3 +3 -1.908669 1.919708 1.956815 Rho 0.1233971E-01 |GRAD(Rho)| 0.4169787E-17 GRAD(Rho)x -0.3577296E-17 GRAD(Rho)y 0.4736668E-19 GRAD(Rho)z -0.2141923E-17 Laplacian 0.5711899E-01 (-1/4)Del**2(Rho)) -0.1427975E-01 Diamond 0.1463983E-02 Metallicity 0.7949514E+00 Ellipticity -0.8521012E+00 Gb(Abramov) 0.1141178E-01 Vb(Abramov) -0.8543818E-02 Hb(Abramov) 0.2867965E-02 Ex_ueg -0.2105999E-02 Ec_ueg -0.4752736E-03 Delta_ex -0.2573914E-02 Delta_ec 0.2870000E-03 Delta_et -0.2510666E-02 Pxc 0.4431129E+01 Qxc -0.8968342E+01 3,+3 87 3 +3 0.074912 2.250520 -0.014224 Rho 0.4479642E-02 |GRAD(Rho)| 0.4731079E-15 GRAD(Rho)x -0.9169148E-17 GRAD(Rho)y -0.3932628E-16 GRAD(Rho)z 0.4713814E-15 Laplacian 0.1832632E-01 (-1/4)Del**2(Rho)) -0.4581580E-02 Diamond 0.1430910E-03 Metallicity 0.4577307E+00 Ellipticity -0.3313128E+00 Gb(Abramov) 0.3403909E-02 Vb(Abramov) -0.2226237E-02 Hb(Abramov) 0.1177672E-02 Ex_ueg -0.5453929E-03 Ec_ueg -0.1245889E-03 Delta_ex -0.6496621E-03 Delta_ec 0.1440338E-03 Delta_et -0.9337433E-03 Pxc 0.4377541E+01 Qxc -0.4510484E+01 3,+3 88 3 -1 -1.802972 2.736714 -0.550641 Rho 0.1414729E+00 |GRAD(Rho)| 0.1768416E-15 GRAD(Rho)x 0.7859110E-16 GRAD(Rho)y -0.9634492E-16 GRAD(Rho)z -0.1257539E-15 Laplacian 0.5834185E+00 (-1/4)Del**2(Rho)) -0.1458546E+00 Diamond 0.1105701E+01 Metallicity 0.4536858E+01 Ellipticity 0.1285300E-01 Gb(Abramov) 0.2075234E+00 Vb(Abramov) -0.2691921E+00 Hb(Abramov) -0.6166875E-01 Ex_ueg -0.5444394E-01 Ec_ueg -0.7899913E-02 Delta_ex -0.6180164E-01 Delta_ec 0.1508810E-01 Delta_et -0.1993151E+00 Pxc 0.6891713E+01 Qxc -0.4096053E+01 3,-1 89 3 -1 -2.003806 2.939066 0.857140 Rho 0.1150766E+00 |GRAD(Rho)| 0.3898739E-15 GRAD(Rho)x -0.2510267E-15 GRAD(Rho)y -0.2027594E-15 GRAD(Rho)z -0.2188056E-15 Laplacian 0.4571867E+00 (-1/4)Del**2(Rho)) -0.1142967E+00 Diamond 0.6733763E+00 Metallicity 0.4103595E+01 Ellipticity 0.1937890E-01 Gb(Abramov) 0.1543690E+00 Vb(Abramov) -0.1944413E+00 Hb(Abramov) -0.4007232E-01 Ex_ueg -0.4133973E-01 Ec_ueg -0.6247059E-02 Delta_ex -0.4604834E-01 Delta_ec 0.1234995E-01 Delta_et -0.1575463E+00 Pxc 0.6617471E+01 Qxc -0.3728627E+01 3,-1 90 3 +1 1.144553 -2.218692 1.302891 Rho 0.2796372E-01 |GRAD(Rho)| 0.3361756E-16 GRAD(Rho)x -0.1723877E-16 GRAD(Rho)y 0.2738194E-16 GRAD(Rho)z -0.9121108E-17 Laplacian 0.1141316E+00 (-1/4)Del**2(Rho)) -0.2853290E-01 Diamond 0.1914585E-01 Metallicity 0.1555483E+01 Ellipticity -0.9435067E+01 Gb(Abramov) 0.2641901E-01 Vb(Abramov) -0.2430512E-01 Hb(Abramov) 0.2113892E-02 Ex_ueg -0.6268711E-02 Ec_ueg -0.1239060E-02 Delta_ex -0.7476430E-02 Delta_ec 0.2225356E-02 Delta_et -0.2014154E-01 Pxc 0.5059248E+01 Qxc -0.3359655E+01 3,+1 91 3 +1 -1.098697 2.144572 1.349772 Rho 0.2727973E-01 |GRAD(Rho)| 0.8578956E-10 GRAD(Rho)x -0.5249533E-10 GRAD(Rho)y -0.2780467E-10 GRAD(Rho)z -0.6189498E-10 Laplacian 0.1102216E+00 (-1/4)Del**2(Rho)) -0.2755540E-01 Diamond 0.1719843E-01 Metallicity 0.1545539E+01 Ellipticity -0.5527780E+01 Gb(Abramov) 0.2546826E-01 Vb(Abramov) -0.2338112E-01 Hb(Abramov) 0.2087143E-02 Ex_ueg -0.6065108E-02 Ec_ueg -0.1204166E-02 Delta_ex -0.7108359E-02 Delta_ec 0.2032938E-02 Delta_et -0.1830227E-01 Pxc 0.5036770E+01 Qxc -0.3496595E+01 3,+1 92 3 -1 -1.783925 -0.548196 2.828479 Rho 0.1526378E+00 |GRAD(Rho)| 0.4981670E-13 GRAD(Rho)x 0.4212643E-13 GRAD(Rho)y -0.1437056E-14 GRAD(Rho)z -0.2655188E-13 Laplacian 0.6399215E+00 (-1/4)Del**2(Rho)) -0.1599804E+00 Diamond 0.1317793E+01 Metallicity 0.4694505E+01 Ellipticity 0.2193826E-01 Gb(Abramov) 0.2318250E+00 Vb(Abramov) -0.3036697E+00 Hb(Abramov) -0.7184466E-01 Ex_ueg -0.6024686E-01 Ec_ueg -0.8612583E-02 Delta_ex -0.6895426E-01 Delta_ec 0.1605395E-01 Delta_et -0.2139581E+00 Pxc 0.6995214E+01 Qxc -0.4295158E+01 3,-1 93 3 +3 -2.317136 -0.019419 -0.016679 Rho 0.5275637E-02 |GRAD(Rho)| 0.8734931E-17 GRAD(Rho)x -0.8155862E-17 GRAD(Rho)y -0.2152277E-17 GRAD(Rho)z 0.2269060E-17 Laplacian 0.2156619E-01 (-1/4)Del**2(Rho)) -0.5391546E-02 Diamond 0.2242435E-03 Metallicity 0.5108554E+00 Ellipticity -0.4588559E+00 Gb(Abramov) 0.4053414E-02 Vb(Abramov) -0.2715282E-02 Hb(Abramov) 0.1338132E-02 Ex_ueg -0.6782944E-03 Ec_ueg -0.1587938E-03 Delta_ex -0.8100217E-03 Delta_ec 0.1909154E-03 Delta_et -0.1249800E-02 Pxc 0.4271542E+01 Qxc -0.4242830E+01 3,+3 94 3 +3 -1.136346 1.086397 -1.158277 Rho 0.5322953E-02 |GRAD(Rho)| 0.5136985E-16 GRAD(Rho)x -0.5090016E-16 GRAD(Rho)y 0.7787674E-18 GRAD(Rho)z 0.6886798E-17 Laplacian 0.2047720E-01 (-1/4)Del**2(Rho)) -0.5119301E-02 Diamond 0.1519401E-03 Metallicity 0.5460892E+00 Ellipticity -0.2743636E+00 Gb(Abramov) 0.3878800E-02 Vb(Abramov) -0.2638298E-02 Hb(Abramov) 0.1240501E-02 Ex_ueg -0.6864178E-03 Ec_ueg -0.1608372E-03 Delta_ex -0.7165950E-03 Delta_ec 0.8430234E-04 Delta_et -0.6914508E-03 Pxc 0.4267782E+01 Qxc -0.8500299E+01 3,+3 95 3 -1 -1.806445 0.486379 -2.857042 Rho 0.1210410E+00 |GRAD(Rho)| 0.2493769E-15 GRAD(Rho)x -0.7845558E-16 GRAD(Rho)y -0.2267135E-15 GRAD(Rho)z -0.6807773E-16 Laplacian 0.4959198E+00 (-1/4)Del**2(Rho)) -0.1239800E+00 Diamond 0.7747600E+00 Metallicity 0.4115499E+01 Ellipticity 0.1438409E-01 Gb(Abramov) 0.1676932E+00 Vb(Abramov) -0.2114064E+00 Hb(Abramov) -0.4371324E-01 Ex_ueg -0.4422098E-01 Ec_ueg -0.6616404E-02 Delta_ex -0.5053491E-01 Delta_ec 0.1320588E-01 Delta_et -0.1699172E+00 Pxc 0.6683537E+01 Qxc -0.3826697E+01 3,-1 96 3 +1 -0.596671 0.485271 -1.687753 Rho 0.8936751E-02 |GRAD(Rho)| 0.9486858E-17 GRAD(Rho)x 0.3558882E-17 GRAD(Rho)y 0.6470031E-17 GRAD(Rho)z -0.5955965E-17 Laplacian 0.3433915E-01 (-1/4)Del**2(Rho)) -0.8584786E-02 Diamond 0.1016161E-02 Metallicity 0.7723066E+00 Ellipticity -0.1542921E+01 Gb(Abramov) 0.6828205E-02 Vb(Abramov) -0.5071625E-02 Hb(Abramov) 0.1756581E-02 Ex_ueg -0.1369697E-02 Ec_ueg -0.3200723E-03 Delta_ex -0.1604564E-02 Delta_ec 0.5197423E-03 Delta_et -0.3558307E-02 Pxc 0.4279337E+01 Qxc -0.3087229E+01 3,+1 97 3 +1 -1.696017 0.480920 -0.560603 Rho 0.9546031E-02 |GRAD(Rho)| 0.2294546E-16 GRAD(Rho)x -0.2092684E-16 GRAD(Rho)y 0.5028471E-17 GRAD(Rho)z -0.7954645E-17 Laplacian 0.3610861E-01 (-1/4)Del**2(Rho)) -0.9027153E-02 Diamond 0.1155345E-02 Metallicity 0.8197985E+00 Ellipticity -0.1584655E+01 Gb(Abramov) 0.7251509E-02 Vb(Abramov) -0.5475866E-02 Hb(Abramov) 0.1775643E-02 Ex_ueg -0.1495600E-02 Ec_ueg -0.3475044E-03 Delta_ex -0.1710114E-02 Delta_ec 0.5369572E-03 Delta_et -0.3746908E-02 Pxc 0.4303831E+01 Qxc -0.3184823E+01 3,+1 98 3 -1 -1.964607 0.877992 3.050777 Rho 0.1621658E+00 |GRAD(Rho)| 0.1666014E-13 GRAD(Rho)x -0.8825921E-14 GRAD(Rho)y -0.1249792E-13 GRAD(Rho)z -0.6592830E-14 Laplacian 0.6334765E+00 (-1/4)Del**2(Rho)) -0.1583691E+00 Diamond 0.1409365E+01 Metallicity 0.5245837E+01 Ellipticity 0.5753416E-01 Gb(Abramov) 0.2440425E+00 Vb(Abramov) -0.3297159E+00 Hb(Abramov) -0.8567338E-01 Ex_ueg -0.6531266E-01 Ec_ueg -0.9226794E-02 Delta_ex -0.6934916E-01 Delta_ec 0.1575407E-01 Delta_et -0.2118745E+00 Pxc 0.7078586E+01 Qxc -0.4401984E+01 3,-1 99 3 +1 -0.294198 -0.490861 -3.206765 Rho 0.3245672E-02 |GRAD(Rho)| 0.1938818E-14 GRAD(Rho)x -0.9203397E-15 GRAD(Rho)y 0.1699747E-14 GRAD(Rho)z 0.1511640E-15 Laplacian 0.1296945E-01 (-1/4)Del**2(Rho)) -0.3242362E-02 Diamond 0.1400835E-03 Metallicity 0.3780357E+00 Ellipticity -0.1465623E+01 Gb(Abramov) 0.2365863E-02 Vb(Abramov) -0.1489363E-02 Hb(Abramov) 0.8764992E-03 Ex_ueg -0.3549152E-03 Ec_ueg -0.7221618E-04 Delta_ex -0.5465879E-03 Delta_ec 0.3221680E-03 Delta_et -0.1571581E-02 Pxc 0.4914622E+01 Qxc -0.1696593E+01 3,+1 100 3 +1 0.191296 2.966138 -0.149434 Rho 0.5642142E-02 |GRAD(Rho)| 0.3458536E-15 GRAD(Rho)x 0.2567671E-15 GRAD(Rho)y 0.4005723E-16 GRAD(Rho)z -0.2282121E-15 Laplacian 0.2339327E-01 (-1/4)Del**2(Rho)) -0.5848317E-02 Diamond 0.6003809E-03 Metallicity 0.5267393E+00 Ellipticity -0.2379246E+01 Gb(Abramov) 0.4412301E-02 Vb(Abramov) -0.2976285E-02 Hb(Abramov) 0.1436016E-02 Ex_ueg -0.7418403E-03 Ec_ueg -0.1746506E-03 Delta_ex -0.1158050E-02 Delta_ec 0.6782093E-03 Delta_et -0.3842438E-02 Pxc 0.4247568E+01 Qxc -0.1707511E+01 3,+1 101 3 +1 -0.520678 1.617991 -0.571196 Rho 0.8816063E-02 |GRAD(Rho)| 0.1542745E-13 GRAD(Rho)x -0.1111408E-13 GRAD(Rho)y -0.7671269E-14 GRAD(Rho)z -0.7458883E-14 Laplacian 0.3400721E-01 (-1/4)Del**2(Rho)) -0.8501802E-02 Diamond 0.9289176E-03 Metallicity 0.7623715E+00 Ellipticity -0.1452084E+01 Gb(Abramov) 0.6748123E-02 Vb(Abramov) -0.4994444E-02 Hb(Abramov) 0.1753679E-02 Ex_ueg -0.1345090E-02 Ec_ueg -0.3146577E-03 Delta_ex -0.1557948E-02 Delta_ec 0.4688337E-03 Delta_et -0.3232773E-02 Pxc 0.4274772E+01 Qxc -0.3323028E+01 3,+1 102 3 +1 -0.334496 -1.032060 -2.744068 Rho 0.3167581E-02 |GRAD(Rho)| 0.5288021E-17 GRAD(Rho)x 0.4990681E-17 GRAD(Rho)y 0.1242784E-17 GRAD(Rho)z -0.1229534E-17 Laplacian 0.1275944E-01 (-1/4)Del**2(Rho)) -0.3189859E-02 Diamond 0.1158910E-03 Metallicity 0.3689729E+00 Ellipticity -0.1286875E+01 Gb(Abramov) 0.2322735E-02 Vb(Abramov) -0.1455610E-02 Hb(Abramov) 0.8671245E-03 Ex_ueg -0.3435754E-03 Ec_ueg -0.6892923E-04 Delta_ex -0.5053292E-03 Delta_ec 0.2636557E-03 Delta_et -0.1304951E-02 Pxc 0.4984465E+01 Qxc -0.1916625E+01 3,+1 103 3 +3 -1.093321 -1.126177 1.173514 Rho 0.5369539E-02 |GRAD(Rho)| 0.1661037E-15 GRAD(Rho)x 0.8730341E-16 GRAD(Rho)y 0.1234998E-15 GRAD(Rho)z -0.6867569E-16 Laplacian 0.2095828E-01 (-1/4)Del**2(Rho)) -0.5239571E-02 Diamond 0.1589983E-03 Metallicity 0.5413596E+00 Ellipticity -0.1401277E+00 Gb(Abramov) 0.3965796E-02 Vb(Abramov) -0.2692021E-02 Hb(Abramov) 0.1273775E-02 Ex_ueg -0.6944395E-03 Ec_ueg -0.1628501E-03 Delta_ex -0.7365885E-03 Delta_ec 0.8872095E-04 Delta_et -0.7212367E-03 Pxc 0.4264287E+01 Qxc -0.8302307E+01 3,+3 104 3 +1 -2.233051 -1.107776 -1.490710 Rho 0.2938369E-01 |GRAD(Rho)| 0.1098203E-15 GRAD(Rho)x 0.9982501E-16 GRAD(Rho)y 0.4124029E-16 GRAD(Rho)z 0.1986728E-16 Laplacian 0.1194939E+00 (-1/4)Del**2(Rho)) -0.2987346E-01 Diamond 0.1800816E-01 Metallicity 0.1613534E+01 Ellipticity -0.2724340E+01 Gb(Abramov) 0.2794929E-01 Vb(Abramov) -0.2602511E-01 Hb(Abramov) 0.1924179E-02 Ex_ueg -0.6696690E-02 Ec_ueg -0.1311861E-02 Delta_ex -0.7628593E-02 Delta_ec 0.1790745E-02 Delta_et -0.1646088E-01 Pxc 0.5104724E+01 Qxc -0.4260010E+01 3,+1 105 3 -1 -1.767058 -0.625638 -1.841900 Rho 0.4692070E-01 |GRAD(Rho)| 0.5969726E-15 GRAD(Rho)x 0.3651896E-15 GRAD(Rho)y -0.1239514E-15 GRAD(Rho)z 0.4556851E-15 Laplacian 0.1921868E+00 (-1/4)Del**2(Rho)) -0.4804671E-01 Diamond 0.9317243E-01 Metallicity 0.2188586E+01 Ellipticity 0.1896900E-01 Gb(Abramov) 0.4955686E-01 Vb(Abramov) -0.5106702E-01 Hb(Abramov) -0.1510155E-02 Ex_ueg -0.1249888E-01 Ec_ueg -0.2245382E-02 Delta_ex -0.1574766E-01 Delta_ec 0.6048464E-02 Delta_et -0.6279893E-01 Pxc 0.5566482E+01 Qxc -0.2603579E+01 3,-1 106 3 +1 0.602185 -1.615532 -1.697247 Rho 0.3079827E-02 |GRAD(Rho)| 0.5812840E-11 GRAD(Rho)x -0.1799890E-11 GRAD(Rho)y 0.5156075E-11 GRAD(Rho)z -0.1991079E-11 Laplacian 0.1187380E-01 (-1/4)Del**2(Rho)) -0.2968450E-02 Diamond 0.7902628E-04 Metallicity 0.3783560E+00 Ellipticity -0.1104772E+01 Gb(Abramov) 0.2166155E-02 Vb(Abramov) -0.1363860E-02 Hb(Abramov) 0.8022948E-03 Ex_ueg -0.3309432E-03 Ec_ueg -0.6523953E-04 Delta_ex -0.4235485E-03 Delta_ec 0.1668246E-03 Delta_et -0.8686730E-03 Pxc 0.5072740E+01 Qxc -0.2538885E+01 3,+1 107 3 +3 0.016616 -0.061006 2.265307 Rho 0.4620136E-02 |GRAD(Rho)| 0.5075706E-17 GRAD(Rho)x 0.2637457E-17 GRAD(Rho)y 0.4298578E-17 GRAD(Rho)z -0.5734516E-18 Laplacian 0.1889588E-01 (-1/4)Del**2(Rho)) -0.4723971E-02 Diamond 0.1523053E-03 Metallicity 0.4673804E+00 Ellipticity -0.3321755E+00 Gb(Abramov) 0.3517296E-02 Vb(Abramov) -0.2310621E-02 Hb(Abramov) 0.1206675E-02 Ex_ueg -0.5683180E-03 Ec_ueg -0.1306025E-03 Delta_ex -0.6736626E-03 Delta_ec 0.1456391E-03 Delta_et -0.9555061E-03 Pxc 0.4351509E+01 Qxc -0.4625560E+01 3,+3 108 3 +1 -0.194619 0.171869 2.948609 Rho 0.5810992E-02 |GRAD(Rho)| 0.2168449E-14 GRAD(Rho)x -0.1700919E-14 GRAD(Rho)y 0.1330034E-14 GRAD(Rho)z 0.2001383E-15 Laplacian 0.2403819E-01 (-1/4)Del**2(Rho)) -0.6009548E-02 Diamond 0.6644259E-03 Metallicity 0.5384290E+00 Ellipticity -0.3070806E+01 Gb(Abramov) 0.4545651E-02 Vb(Abramov) -0.3081754E-02 Hb(Abramov) 0.1463897E-02 Ex_ueg -0.7715879E-03 Ec_ueg -0.1819783E-03 Delta_ex -0.1214205E-02 Delta_ec 0.7274455E-03 Delta_et -0.4144465E-02 Pxc 0.4239999E+01 Qxc -0.1669136E+01 3,+1 109 3 -1 -0.557455 -0.543062 -0.537910 Rho 0.1895036E+00 |GRAD(Rho)| 0.6418477E-15 GRAD(Rho)x -0.4163336E-15 GRAD(Rho)y -0.3573530E-15 GRAD(Rho)z -0.3330669E-15 Laplacian 0.5121349E+00 (-1/4)Del**2(Rho)) -0.1280337E+00 Diamond 0.1382866E+01 Metallicity 0.8412492E+01 Ellipticity 0.2512291E-01 Gb(Abramov) 0.2648696E+00 Vb(Abramov) -0.4017055E+00 Hb(Abramov) -0.1368359E+00 Ex_ueg -0.8039118E-01 Ec_ueg -0.1101869E-01 Delta_ex -0.5836571E-01 Delta_ec 0.1234637E-01 Delta_et -0.1692941E+00 Pxc 0.7295896E+01 Qxc -0.4727359E+01 3,-1 110 3 +1 -1.043602 1.403676 2.176861 Rho 0.2492394E-01 |GRAD(Rho)| 0.1961698E-16 GRAD(Rho)x -0.6122912E-17 GRAD(Rho)y 0.1378019E-16 GRAD(Rho)z 0.1254760E-16 Laplacian 0.9653703E-01 (-1/4)Del**2(Rho)) -0.2413426E-01 Diamond 0.1144087E-01 Metallicity 0.1518031E+01 Ellipticity -0.2587512E+01 Gb(Abramov) 0.2219559E-01 Vb(Abramov) -0.2025693E-01 Hb(Abramov) 0.1938662E-02 Ex_ueg -0.5377009E-02 Ec_ueg -0.1084886E-02 Delta_ex -0.5875727E-02 Delta_ec 0.1417716E-02 Delta_et -0.1255672E-01 Pxc 0.4956291E+01 Qxc -0.4144502E+01 3,+1 111 3 +1 0.155985 -0.189553 2.970023 Rho 0.5742349E-02 |GRAD(Rho)| 0.1230192E-14 GRAD(Rho)x 0.9022872E-15 GRAD(Rho)y -0.8194585E-15 GRAD(Rho)z 0.1665476E-15 Laplacian 0.2387619E-01 (-1/4)Del**2(Rho)) -0.5969047E-02 Diamond 0.6144770E-03 Metallicity 0.5314522E+00 Ellipticity -0.2254404E+01 Gb(Abramov) 0.4508075E-02 Vb(Abramov) -0.3047103E-02 Hb(Abramov) 0.1460972E-02 Ex_ueg -0.7594593E-03 Ec_ueg -0.1789977E-03 Delta_ex -0.1176140E-02 Delta_ec 0.6742977E-03 Delta_et -0.3848017E-02 Pxc 0.4242845E+01 Qxc -0.1744244E+01 3,+1 112 3 -1 0.011858 -3.389577 -1.175151 Rho 0.3298229E-01 |GRAD(Rho)| 0.3270443E-16 GRAD(Rho)x 0.3211879E-16 GRAD(Rho)y 0.5335668E-17 GRAD(Rho)z 0.3081272E-17 Laplacian 0.1017471E+00 (-1/4)Del**2(Rho)) -0.2543677E-01 Diamond 0.4631627E-01 Metallicity 0.2297343E+01 Ellipticity 0.7806087E-02 Gb(Abramov) 0.2669735E-01 Vb(Abramov) -0.2795792E-01 Hb(Abramov) -0.1260575E-02 Ex_ueg -0.7811951E-02 Ec_ueg -0.1498438E-02 Delta_ex -0.8831761E-02 Delta_ec 0.5320867E-02 Delta_et -0.5016560E-01 Pxc 0.5213394E+01 Qxc -0.1659835E+01 3,-1 113 3 -1 0.503938 -1.789987 1.708824 Rho 0.4279953E-01 |GRAD(Rho)| 0.1410871E-15 GRAD(Rho)x 0.7677718E-17 GRAD(Rho)y -0.1354162E-15 GRAD(Rho)z -0.3884663E-16 Laplacian 0.1777433E+00 (-1/4)Del**2(Rho)) -0.4443582E-01 Diamond 0.7442100E-01 Metallicity 0.2030260E+01 Ellipticity 0.1246240E-01 Gb(Abramov) 0.4465993E-01 Vb(Abramov) -0.4488403E-01 Hb(Abramov) -0.2241030E-03 Ex_ueg -0.1105699E-01 Ec_ueg -0.2020905E-02 Delta_ex -0.1415072E-01 Delta_ec 0.5442776E-02 Delta_et -0.5510570E-01 Pxc 0.5471307E+01 Qxc -0.2599909E+01 3,-1 114 3 -1 -0.589675 -2.792701 1.847259 Rho 0.1470430E+00 |GRAD(Rho)| 0.3385484E-15 GRAD(Rho)x -0.2028813E-16 GRAD(Rho)y 0.4495034E-16 GRAD(Rho)z 0.3349372E-15 Laplacian 0.6147815E+00 (-1/4)Del**2(Rho)) -0.1536954E+00 Diamond 0.1191748E+01 Metallicity 0.4591625E+01 Ellipticity 0.3826922E-01 Gb(Abramov) 0.2200822E+00 Vb(Abramov) -0.2864690E+00 Hb(Abramov) -0.6638679E-01 Ex_ueg -0.5732063E-01 Ec_ueg -0.8254494E-02 Delta_ex -0.6544750E-01 Delta_ec 0.1522504E-01 Delta_et -0.2010985E+00 Pxc 0.6944172E+01 Qxc -0.4298675E+01 3,-1 115 3 +1 1.113787 -1.321018 2.163664 Rho 0.2557267E-01 |GRAD(Rho)| 0.2508535E-16 GRAD(Rho)x -0.3208339E-17 GRAD(Rho)y 0.1096934E-16 GRAD(Rho)z -0.2233058E-16 Laplacian 0.1013440E+00 (-1/4)Del**2(Rho)) -0.2533599E-01 Diamond 0.1445892E-01 Metallicity 0.1509299E+01 Ellipticity -0.5117709E+01 Gb(Abramov) 0.2326392E-01 Vb(Abramov) -0.2119186E-01 Hb(Abramov) 0.2072065E-02 Ex_ueg -0.5564418E-02 Ec_ueg -0.1117590E-02 Delta_ex -0.6423978E-02 Delta_ec 0.1867314E-02 Delta_et -0.1654269E-01 Pxc 0.4978944E+01 Qxc -0.3440223E+01 3,+1 116 3 +3 -0.092595 -2.391891 -0.122738 Rho 0.4165952E-02 |GRAD(Rho)| 0.3481760E-16 GRAD(Rho)x 0.1884001E-16 GRAD(Rho)y 0.2700391E-16 GRAD(Rho)z 0.1131850E-16 Laplacian 0.1683621E-01 (-1/4)Del**2(Rho)) -0.4209052E-02 Diamond 0.1173833E-03 Metallicity 0.4414613E+00 Ellipticity -0.3730345E+00 Gb(Abramov) 0.3115724E-02 Vb(Abramov) -0.2022395E-02 Hb(Abramov) 0.1093328E-02 Ex_ueg -0.4950748E-03 Ec_ueg -0.1111988E-03 Delta_ex -0.5836440E-03 Delta_ec 0.1286687E-03 Delta_et -0.8263754E-03 Pxc 0.4452159E+01 Qxc -0.4536022E+01 3,+3 117 3 -1 -0.826306 2.020773 2.996418 Rho 0.1063444E+00 |GRAD(Rho)| 0.3261507E-15 GRAD(Rho)x -0.1642837E-15 GRAD(Rho)y -0.2235693E-15 GRAD(Rho)z -0.1714700E-15 Laplacian 0.4155393E+00 (-1/4)Del**2(Rho)) -0.1038848E+00 Diamond 0.5513773E+00 Metallicity 0.3958456E+01 Ellipticity 0.2683032E-01 Gb(Abramov) 0.1377938E+00 Vb(Abramov) -0.1717027E+00 Hb(Abramov) -0.3390897E-01 Ex_ueg -0.3721101E-01 Ec_ueg -0.5710953E-02 Delta_ex -0.4099971E-01 Delta_ec 0.1128269E-01 Delta_et -0.1416432E+00 Pxc 0.6515727E+01 Qxc -0.3633860E+01 3,-1 118 3 +1 2.196482 1.024174 -1.413703 Rho 0.2516745E-01 |GRAD(Rho)| 0.9725158E-16 GRAD(Rho)x -0.9607999E-16 GRAD(Rho)y 0.5099999E-17 GRAD(Rho)z 0.1415968E-16 Laplacian 0.9660737E-01 (-1/4)Del**2(Rho)) -0.2415184E-01 Diamond 0.1196457E-01 Metallicity 0.1541707E+01 Ellipticity -0.2913110E+01 Gb(Abramov) 0.2230707E-01 Vb(Abramov) -0.2046230E-01 Hb(Abramov) 0.1844772E-02 Ex_ueg -0.5447168E-02 Ec_ueg -0.1097149E-02 Delta_ex -0.5934437E-02 Delta_ec 0.1488052E-02 Delta_et -0.1319115E-01 Pxc 0.4964839E+01 Qxc -0.3988056E+01 3,+1 119 3 -1 -0.549541 2.751796 -1.779953 Rho 0.1265844E+00 |GRAD(Rho)| 0.9155111E-16 GRAD(Rho)x 0.8481171E-16 GRAD(Rho)y -0.3462671E-17 GRAD(Rho)z -0.3430145E-16 Laplacian 0.5259744E+00 (-1/4)Del**2(Rho)) -0.1314936E+00 Diamond 0.8541929E+00 Metallicity 0.4181022E+01 Ellipticity 0.9105647E-02 Gb(Abramov) 0.1792920E+00 Vb(Abramov) -0.2270904E+00 Hb(Abramov) -0.4779841E-01 Ex_ueg -0.4694170E-01 Ec_ueg -0.6961895E-02 Delta_ex -0.5401389E-01 Delta_ec 0.1356986E-01 Delta_et -0.1754080E+00 Pxc 0.6742662E+01 Qxc -0.3980430E+01 3,-1 120 3 -1 -0.835876 2.997738 1.998554 Rho 0.1447327E+00 |GRAD(Rho)| 0.3660366E-15 GRAD(Rho)x 0.2542590E-15 GRAD(Rho)y -0.1656661E-15 GRAD(Rho)z 0.2046703E-15 Laplacian 0.5613078E+00 (-1/4)Del**2(Rho)) -0.1403270E+00 Diamond 0.1078556E+01 Metallicity 0.4898052E+01 Ellipticity 0.5620633E-01 Gb(Abramov) 0.2081061E+00 Vb(Abramov) -0.2758852E+00 Hb(Abramov) -0.6777914E-01 Ex_ueg -0.5612299E-01 Ec_ueg -0.8107191E-02 Delta_ex -0.5963679E-01 Delta_ec 0.1416045E-01 Delta_et -0.1870936E+00 Pxc 0.6922618E+01 Qxc -0.4211505E+01 3,-1 121 3 -1 -0.566453 -1.830199 2.801558 Rho 0.1184621E+00 |GRAD(Rho)| 0.5392326E-15 GRAD(Rho)x 0.2803001E-15 GRAD(Rho)y -0.4504453E-15 GRAD(Rho)z -0.9644995E-16 Laplacian 0.4914482E+00 (-1/4)Del**2(Rho)) -0.1228621E+00 Diamond 0.7428651E+00 Metallicity 0.4006527E+01 Ellipticity 0.1903822E-02 Gb(Abramov) 0.1639497E+00 Vb(Abramov) -0.2050374E+00 Hb(Abramov) -0.4108767E-01 Ex_ueg -0.4296926E-01 Ec_ueg -0.6456402E-02 Delta_ex -0.4975051E-01 Delta_ec 0.1302416E-01 Delta_et -0.1667446E+00 Pxc 0.6655295E+01 Qxc -0.3819862E+01 3,-1 122 3 -1 -0.256827 -1.250969 -3.530611 Rho 0.4698207E-02 |GRAD(Rho)| 0.3037829E-17 GRAD(Rho)x 0.2636065E-17 GRAD(Rho)y -0.1420383E-18 GRAD(Rho)z 0.1503126E-17 Laplacian 0.1846672E-01 (-1/4)Del**2(Rho)) -0.4616679E-02 Diamond 0.6265527E-03 Metallicity 0.4917871E+00 Ellipticity 0.1536543E+00 Gb(Abramov) 0.3456190E-02 Vb(Abramov) -0.2295701E-02 Hb(Abramov) 0.1160489E-02 Ex_ueg -0.5811585E-03 Ec_ueg -0.1339486E-03 Delta_ex -0.1139770E-02 Delta_ec 0.9966708E-03 Delta_et -0.5143512E-02 Pxc 0.4338667E+01 Qxc -0.1143577E+01 3,-1 123 3 -1 0.429029 0.388156 -0.531667 Rho 0.1801617E+00 |GRAD(Rho)| 0.4297775E-15 GRAD(Rho)x -0.2116363E-15 GRAD(Rho)y -0.2844947E-15 GRAD(Rho)z 0.2428613E-15 Laplacian 0.4737834E+00 (-1/4)Del**2(Rho)) -0.1184459E+00 Diamond 0.1223161E+01 Metallicity 0.8358671E+01 Ellipticity 0.5348332E-02 Gb(Abramov) 0.2439722E+00 Vb(Abramov) -0.3694986E+00 Hb(Abramov) -0.1255264E+00 Ex_ueg -0.7515102E-01 Ec_ueg -0.1040151E-01 Delta_ex -0.5346118E-01 Delta_ec 0.1184328E-01 Delta_et -0.1623479E+00 Pxc 0.7225011E+01 Qxc -0.4514052E+01 3,-1 124 3 -1 -0.061130 0.032966 2.952951 Rho 0.5836599E-02 |GRAD(Rho)| 0.1153233E-16 GRAD(Rho)x -0.1038226E-16 GRAD(Rho)y -0.4990457E-17 GRAD(Rho)z 0.5465871E-18 Laplacian 0.2346268E-01 (-1/4)Del**2(Rho)) -0.5865670E-02 Diamond 0.7766867E-03 Metallicity 0.5556935E+00 Ellipticity 0.2712846E+01 Gb(Abramov) 0.4453700E-02 Vb(Abramov) -0.3041729E-02 Hb(Abramov) 0.1411971E-02 Ex_ueg -0.7761248E-03 Ec_ueg -0.1830909E-03 Delta_ex -0.1280099E-02 Delta_ec 0.8777159E-03 Delta_et -0.4938037E-02 Pxc 0.4239015E+01 Qxc -0.1458443E+01 3,-1 125 3 +3 -0.294445 -0.609745 -2.768630 Rho 0.3029094E-02 |GRAD(Rho)| 0.1149352E-17 GRAD(Rho)x -0.4538826E-18 GRAD(Rho)y -0.1050029E-17 GRAD(Rho)z -0.1115361E-18 Laplacian 0.1218632E-01 (-1/4)Del**2(Rho)) -0.3046579E-02 Diamond 0.8738248E-04 Metallicity 0.3585877E+00 Ellipticity -0.4765064E+00 Gb(Abramov) 0.2213130E-02 Vb(Abramov) -0.1379681E-02 Hb(Abramov) 0.8334487E-03 Ex_ueg -0.3236946E-03 Ec_ueg -0.6310836E-04 Delta_ex -0.4476764E-03 Delta_ec 0.1973154E-03 Delta_et -0.9985124E-03 Pxc 0.5129187E+01 Qxc -0.2268836E+01 3,+3 126 3 +3 1.896608 -1.942538 1.959341 Rho 0.1215101E-01 |GRAD(Rho)| 0.1306326E-16 GRAD(Rho)x -0.4391211E-17 GRAD(Rho)y -0.1056596E-16 GRAD(Rho)z 0.6302890E-17 Laplacian 0.5665476E-01 (-1/4)Del**2(Rho)) -0.1416369E-01 Diamond 0.1465026E-02 Metallicity 0.7811439E+00 Ellipticity -0.8520579E+00 Gb(Abramov) 0.1128644E-01 Vb(Abramov) -0.8409189E-02 Hb(Abramov) 0.2877250E-02 Ex_ueg -0.2063170E-02 Ec_ueg -0.4665448E-03 Delta_ex -0.2554056E-02 Delta_ec 0.3069134E-03 Delta_et -0.2635439E-02 Pxc 0.4422234E+01 Qxc -0.8321749E+01 3,+3 127 3 +1 0.548196 1.667864 0.478310 Rho 0.7264785E-02 |GRAD(Rho)| 0.1316030E-14 GRAD(Rho)x 0.3025535E-15 GRAD(Rho)y -0.6329586E-15 GRAD(Rho)z -0.1113445E-14 Laplacian 0.2823757E-01 (-1/4)Del**2(Rho)) -0.7059391E-02 Diamond 0.6131899E-03 Metallicity 0.6650034E+00 Ellipticity -0.1405900E+01 Gb(Abramov) 0.5488681E-02 Vb(Abramov) -0.3917970E-02 Hb(Abramov) 0.1570711E-02 Ex_ueg -0.1039159E-02 Ec_ueg -0.2456410E-03 Delta_ex -0.1243577E-02 Delta_ec 0.4100291E-03 Delta_et -0.2672131E-02 Pxc 0.4230399E+01 Qxc -0.3032898E+01 3,+1 128 3 +3 0.756824 -1.479262 -1.552104 Rho 0.3056914E-02 |GRAD(Rho)| 0.2979468E-17 GRAD(Rho)x 0.1033322E-17 GRAD(Rho)y 0.1691510E-17 GRAD(Rho)z -0.2224471E-17 Laplacian 0.1192797E-01 (-1/4)Del**2(Rho)) -0.2981992E-02 Diamond 0.6493723E-04 Metallicity 0.3719793E+00 Ellipticity -0.8736223E+00 Gb(Abramov) 0.2172868E-02 Vb(Abramov) -0.1363744E-02 Hb(Abramov) 0.8091241E-03 Ex_ueg -0.3276645E-03 Ec_ueg -0.6427685E-04 Delta_ex -0.4003228E-03 Delta_ec 0.1239576E-03 Delta_et -0.6847339E-03 Pxc 0.5097706E+01 Qxc -0.3229514E+01 3,+3 129 3 -1 -0.505934 0.415933 0.425037 Rho 0.1780896E+00 |GRAD(Rho)| 0.5910801E-15 GRAD(Rho)x 0.4024558E-15 GRAD(Rho)y -0.3885781E-15 GRAD(Rho)z -0.1908196E-15 Laplacian 0.4654024E+00 (-1/4)Del**2(Rho)) -0.1163506E+00 Diamond 0.1182245E+01 Metallicity 0.8346711E+01 Ellipticity 0.2315843E-02 Gb(Abramov) 0.2394245E+00 Vb(Abramov) -0.3624985E+00 Hb(Abramov) -0.1230739E+00 Ex_ueg -0.7400080E-01 Ec_ueg -0.1026529E-01 Delta_ex -0.5234240E-01 Delta_ec 0.1163044E-01 Delta_et -0.1591084E+00 Pxc 0.7208835E+01 Qxc -0.4500467E+01 3,-1 130 3 +1 0.514247 0.455631 1.651607 Rho 0.8048237E-02 |GRAD(Rho)| 0.8857348E-17 GRAD(Rho)x 0.2042189E-17 GRAD(Rho)y -0.1238299E-17 GRAD(Rho)z 0.8529284E-17 Laplacian 0.3176226E-01 (-1/4)Del**2(Rho)) -0.7940564E-02 Diamond 0.7763634E-03 Metallicity 0.7012450E+00 Ellipticity -0.1406999E+01 Gb(Abramov) 0.6221756E-02 Vb(Abramov) -0.4502948E-02 Hb(Abramov) 0.1718808E-02 Ex_ueg -0.1191204E-02 Ec_ueg -0.2803607E-03 Delta_ex -0.1426833E-02 Delta_ec 0.4467515E-03 Delta_et -0.3001957E-02 Pxc 0.4248825E+01 Qxc -0.3193796E+01 3,+1 131 3 -1 -0.565405 1.790358 -2.770256 Rho 0.1366454E+00 |GRAD(Rho)| 0.3027790E-16 GRAD(Rho)x -0.1248188E-16 GRAD(Rho)y -0.2679335E-16 GRAD(Rho)z -0.6562811E-17 Laplacian 0.5787676E+00 (-1/4)Del**2(Rho)) -0.1446919E+00 Diamond 0.1025691E+01 Metallicity 0.4316188E+01 Ellipticity 0.2897724E-01 Gb(Abramov) 0.2005475E+00 Vb(Abramov) -0.2564031E+00 Hb(Abramov) -0.5585562E-01 Ex_ueg -0.5198103E-01 Ec_ueg -0.7594185E-02 Delta_ex -0.6049609E-01 Delta_ec 0.1456302E-01 Delta_et -0.1902976E+00 Pxc 0.6844846E+01 Qxc -0.4154090E+01 3,-1 132 3 -1 -0.086262 -3.226352 3.218174 Rho 0.2305888E+00 |GRAD(Rho)| 0.2762781E-12 GRAD(Rho)x 0.5216313E-13 GRAD(Rho)y 0.1867295E-12 GRAD(Rho)z -0.1968264E-12 Laplacian 0.8337651E+00 (-1/4)Del**2(Rho)) -0.2084413E+00 Diamond 0.2819137E+01 Metallicity 0.7166379E+01 Ellipticity 0.2038321E-02 Gb(Abramov) 0.3879224E+00 Vb(Abramov) -0.5674034E+00 Hb(Abramov) -0.1794811E+00 Ex_ueg -0.1044326E+00 Ec_ueg -0.1379097E-01 Delta_ex -0.9974133E-01 Delta_ec 0.1872589E-01 Delta_et -0.2593543E+00 Pxc 0.7572533E+01 Qxc -0.5326386E+01 3,-1 133 3 +1 1.633494 -0.590015 -0.558123 Rho 0.9050610E-02 |GRAD(Rho)| 0.1327645E-14 GRAD(Rho)x 0.5366803E-15 GRAD(Rho)y -0.1179259E-14 GRAD(Rho)z 0.2897641E-15 Laplacian 0.3612560E-01 (-1/4)Del**2(Rho)) -0.9031399E-02 Diamond 0.1013846E-02 Metallicity 0.7497698E+00 Ellipticity -0.1416740E+01 Gb(Abramov) 0.7149511E-02 Vb(Abramov) -0.5267623E-02 Hb(Abramov) 0.1881888E-02 Ex_ueg -0.1393014E-02 Ec_ueg -0.3251865E-03 Delta_ex -0.1662356E-02 Delta_ec 0.4913366E-03 Delta_et -0.3416172E-02 Pxc 0.4283740E+01 Qxc -0.3383334E+01 3,+1 134 3 -1 -0.512007 1.744933 1.710971 Rho 0.3947391E-01 |GRAD(Rho)| 0.8432451E-16 GRAD(Rho)x -0.4235271E-16 GRAD(Rho)y -0.6397640E-16 GRAD(Rho)z -0.3498415E-16 Laplacian 0.1640653E+00 (-1/4)Del**2(Rho)) -0.4101632E-01 Diamond 0.6162221E-01 Metallicity 0.1922118E+01 Ellipticity 0.4136694E-01 Gb(Abramov) 0.4048391E-01 Vb(Abramov) -0.3995151E-01 Hb(Abramov) 0.5324076E-03 Ex_ueg -0.9926554E-02 Ec_ueg -0.1841878E-02 Delta_ex -0.1280833E-01 Delta_ec 0.5034972E-02 Delta_et -0.4987516E-01 Pxc 0.5389367E+01 Qxc -0.2543873E+01 3,-1 135 3 +3 1.065993 1.096822 1.051467 Rho 0.4511678E-02 |GRAD(Rho)| 0.1278578E-14 GRAD(Rho)x -0.1138397E-14 GRAD(Rho)y -0.2911271E-15 GRAD(Rho)z -0.5040414E-15 Laplacian 0.1772678E-01 (-1/4)Del**2(Rho)) -0.4431695E-02 Diamond 0.1160509E-03 Metallicity 0.4788654E+00 Ellipticity -0.1718982E+00 Gb(Abramov) 0.3308161E-02 Vb(Abramov) -0.2184627E-02 Hb(Abramov) 0.1123534E-02 Ex_ueg -0.5505996E-03 Ec_ueg -0.1259592E-03 Delta_ex -0.6043314E-03 Delta_ec 0.9424861E-04 Delta_et -0.6857341E-03 Pxc 0.4371253E+01 Qxc -0.6412099E+01 3,+3 136 3 -1 -0.068337 3.176111 -3.167388 Rho 0.2306295E+00 |GRAD(Rho)| 0.2739701E-15 GRAD(Rho)x 0.4133521E-16 GRAD(Rho)y -0.1621966E-15 GRAD(Rho)z -0.2168946E-15 Laplacian 0.8394261E+00 (-1/4)Del**2(Rho)) -0.2098565E+00 Diamond 0.2835549E+01 Metallicity 0.7120147E+01 Ellipticity 0.5704596E-03 Gb(Abramov) 0.3889392E+00 Vb(Abramov) -0.5680219E+00 Hb(Abramov) -0.1790827E+00 Ex_ueg -0.1044572E+00 Ec_ueg -0.1379377E-01 Delta_ex -0.1004045E+00 Delta_ec 0.1881867E-01 Delta_et -0.2605019E+00 Pxc 0.7572782E+01 Qxc -0.5335364E+01 3,-1 137 3 -1 0.102783 3.232192 3.180499 Rho 0.2290187E+00 |GRAD(Rho)| 0.2674635E-15 GRAD(Rho)x -0.7151669E-16 GRAD(Rho)y 0.2375487E-15 GRAD(Rho)z -0.9996344E-16 Laplacian 0.8218994E+00 (-1/4)Del**2(Rho)) -0.2054749E+00 Diamond 0.2760581E+01 Metallicity 0.7187525E+01 Ellipticity 0.2355349E-02 Gb(Abramov) 0.3831258E+00 Vb(Abramov) -0.5607768E+00 Hb(Abramov) -0.1776510E+00 Ex_ueg -0.1034855E+00 Ec_ueg -0.1368331E-01 Delta_ex -0.9817204E-01 Delta_ec 0.1853965E-01 Delta_et -0.2568722E+00 Pxc 0.7562901E+01 Qxc -0.5295249E+01 3,-1 138 3 +1 2.024068 1.997753 -1.989890 Rho 0.1192483E-01 |GRAD(Rho)| 0.1728979E-16 GRAD(Rho)x 0.1070322E-16 GRAD(Rho)y -0.9464816E-17 GRAD(Rho)z 0.9736273E-17 Laplacian 0.5568653E-01 (-1/4)Del**2(Rho)) -0.1392163E-01 Diamond 0.1743454E-02 Metallicity 0.7702238E+00 Ellipticity -0.1099047E+01 Gb(Abramov) 0.1106822E-01 Vb(Abramov) -0.8214801E-02 Hb(Abramov) 0.2853415E-02 Ex_ueg -0.2012125E-02 Ec_ueg -0.4561002E-03 Delta_ex -0.2596103E-02 Delta_ec 0.4789173E-03 Delta_et -0.3773616E-02 Pxc 0.4411584E+01 Qxc -0.5420775E+01 3,+1 139 3 +1 1.653888 0.488716 0.515472 Rho 0.7675440E-02 |GRAD(Rho)| 0.1649234E-16 GRAD(Rho)x 0.8170788E-17 GRAD(Rho)y 0.2658256E-17 GRAD(Rho)z 0.1407726E-16 Laplacian 0.3007105E-01 (-1/4)Del**2(Rho)) -0.7517763E-02 Diamond 0.7016889E-03 Metallicity 0.6843894E+00 Ellipticity -0.1415217E+01 Gb(Abramov) 0.5869355E-02 Vb(Abramov) -0.4220947E-02 Hb(Abramov) 0.1648408E-02 Ex_ueg -0.1118208E-02 Ec_ueg -0.2638045E-03 Delta_ex -0.1341485E-02 Delta_ec 0.4347738E-03 Delta_et -0.2875949E-02 Pxc 0.4238776E+01 Qxc -0.3085478E+01 3,+1 140 3 +1 0.333775 -1.911682 -0.693148 Rho 0.6342970E-02 |GRAD(Rho)| 0.1148338E-16 GRAD(Rho)x -0.3297840E-17 GRAD(Rho)y -0.1087097E-16 GRAD(Rho)z -0.1677524E-17 Laplacian 0.2466366E-01 (-1/4)Del**2(Rho)) -0.6165916E-02 Diamond 0.6357110E-03 Metallicity 0.6072627E+00 Ellipticity -0.1999493E+01 Gb(Abramov) 0.4734666E-02 Vb(Abramov) -0.3303416E-02 Hb(Abramov) 0.1431250E-02 Ex_ueg -0.8671786E-03 Ec_ueg -0.2051563E-03 Delta_ex -0.1179150E-02 Delta_ec 0.5878147E-03 Delta_et -0.3501916E-02 Pxc 0.4226917E+01 Qxc -0.2005989E+01 3,+1 141 3 -1 0.413618 -0.543503 0.406628 Rho 0.1799565E+00 |GRAD(Rho)| 0.1316318E-11 GRAD(Rho)x -0.7543549E-12 GRAD(Rho)y 0.7598366E-12 GRAD(Rho)z -0.7656965E-12 Laplacian 0.4745853E+00 (-1/4)Del**2(Rho)) -0.1186463E+00 Diamond 0.1223400E+01 Metallicity 0.8328720E+01 Ellipticity 0.7126868E-02 Gb(Abramov) 0.2437929E+00 Vb(Abramov) -0.3689394E+00 Hb(Abramov) -0.1251465E+00 Ex_ueg -0.7503695E-01 Ec_ueg -0.1038801E-01 Delta_ex -0.5353517E-01 Delta_ec 0.1186465E-01 Delta_et -0.1626133E+00 Pxc 0.7223417E+01 Qxc -0.4512158E+01 3,-1 142 3 +1 2.908402 -0.082985 0.101789 Rho 0.4915807E-02 |GRAD(Rho)| 0.1287377E-16 GRAD(Rho)x 0.1311770E-17 GRAD(Rho)y 0.1039459E-16 GRAD(Rho)z 0.7481030E-17 Laplacian 0.1981677E-01 (-1/4)Del**2(Rho)) -0.4954192E-02 Diamond 0.4845476E-03 Metallicity 0.4942026E+00 Ellipticity -0.8281618E+01 Gb(Abramov) 0.3710857E-02 Vb(Abramov) -0.2467522E-02 Hb(Abramov) 0.1243335E-02 Ex_ueg -0.6173216E-03 Ec_ueg -0.1432914E-03 Delta_ex -0.1013252E-02 Delta_ec 0.6797209E-03 Delta_et -0.3650111E-02 Pxc 0.4308155E+01 Qxc -0.1490688E+01 3,+1 143 3 -1 1.368760 -2.110719 -2.098171 Rho 0.6317212E-02 |GRAD(Rho)| 0.6694632E-17 GRAD(Rho)x 0.7226864E-18 GRAD(Rho)y 0.2321727E-17 GRAD(Rho)z 0.6237419E-17 Laplacian 0.2598580E-01 (-1/4)Del**2(Rho)) -0.6496449E-02 Diamond 0.1038134E-02 Metallicity 0.5724702E+00 Ellipticity 0.1530124E+01 Gb(Abramov) 0.4950803E-02 Vb(Abramov) -0.3405158E-02 Hb(Abramov) 0.1545646E-02 Ex_ueg -0.8624866E-03 Ec_ueg -0.2040309E-03 Delta_ex -0.1494168E-02 Delta_ec 0.1070870E-02 Delta_et -0.6139011E-02 Pxc 0.4227235E+01 Qxc -0.1395284E+01 3,-1 144 3 -1 1.696640 0.426074 -1.794512 Rho 0.4658897E-01 |GRAD(Rho)| 0.1312175E-12 GRAD(Rho)x 0.8270632E-13 GRAD(Rho)y -0.4641660E-13 GRAD(Rho)z -0.9068179E-13 Laplacian 0.1835320E+00 (-1/4)Del**2(Rho)) -0.4588300E-01 Diamond 0.8461894E-01 Metallicity 0.2264852E+01 Ellipticity 0.1890855E-01 Gb(Abramov) 0.4790837E-01 Vb(Abramov) -0.4993375E-01 Hb(Abramov) -0.2025371E-02 Ex_ueg -0.1238120E-01 Ec_ueg -0.2227211E-02 Delta_ex -0.1484613E-01 Delta_ec 0.5480071E-02 Delta_et -0.5672611E-01 Pxc 0.5559059E+01 Qxc -0.2709112E+01 3,-1 145 3 -1 0.525334 1.671394 -1.750869 Rho 0.4599786E-01 |GRAD(Rho)| 0.6194969E-16 GRAD(Rho)x -0.3574479E-17 GRAD(Rho)y 0.2006240E-16 GRAD(Rho)z -0.5850202E-16 Laplacian 0.1906430E+00 (-1/4)Del**2(Rho)) -0.4766075E-01 Diamond 0.8796095E-01 Metallicity 0.2134462E+01 Ellipticity 0.1548248E-01 Gb(Abramov) 0.4872884E-01 Vb(Abramov) -0.4979693E-01 Hb(Abramov) -0.1068090E-02 Ex_ueg -0.1217218E-01 Ec_ueg -0.2194874E-02 Delta_ex -0.1544806E-01 Delta_ec 0.5828476E-02 Delta_et -0.6015854E-01 Pxc 0.5545732E+01 Qxc -0.2650446E+01 3,-1 146 3 +1 1.232404 2.128894 -1.213898 Rho 0.2579854E-01 |GRAD(Rho)| 0.1399031E-13 GRAD(Rho)x 0.2064820E-14 GRAD(Rho)y 0.1265076E-13 GRAD(Rho)z -0.5605668E-14 Laplacian 0.1028834E+00 (-1/4)Del**2(Rho)) -0.2572084E-01 Diamond 0.1538507E-01 Metallicity 0.1508667E+01 Ellipticity -0.7535045E+01 Gb(Abramov) 0.2361459E-01 Vb(Abramov) -0.2150834E-01 Hb(Abramov) 0.2106251E-02 Ex_ueg -0.5630046E-02 Ec_ueg -0.1129003E-02 Delta_ex -0.6591713E-02 Delta_ec 0.1993859E-02 Delta_et -0.1768378E-01 Pxc 0.4986741E+01 Qxc -0.3306009E+01 3,+1 147 3 -1 0.809438 -1.998656 3.011089 Rho 0.1228355E+00 |GRAD(Rho)| 0.3704390E-12 GRAD(Rho)x 0.2559691E-12 GRAD(Rho)y 0.2144806E-12 GRAD(Rho)z 0.1603214E-12 Laplacian 0.4769674E+00 (-1/4)Del**2(Rho)) -0.1192418E+00 Diamond 0.7524915E+00 Metallicity 0.4385286E+01 Ellipticity 0.4201868E-01 Gb(Abramov) 0.1666462E+00 Vb(Abramov) -0.2140505E+00 Hb(Abramov) -0.4740431E-01 Ex_ueg -0.4509729E-01 Ec_ueg -0.6728018E-02 Delta_ex -0.4869751E-01 Delta_ec 0.1251897E-01 Delta_et -0.1612482E+00 Pxc 0.6702909E+01 Qxc -0.3889898E+01 3,-1 148 3 -1 0.838958 2.971429 -1.957082 Rho 0.1225960E+00 |GRAD(Rho)| 0.1308256E-15 GRAD(Rho)x -0.5926520E-16 GRAD(Rho)y 0.9694123E-16 GRAD(Rho)z -0.6484884E-16 Laplacian 0.4761439E+00 (-1/4)Del**2(Rho)) -0.1190360E+00 Diamond 0.7496049E+00 Metallicity 0.4378602E+01 Ellipticity 0.4602844E-01 Gb(Abramov) 0.1662258E+00 Vb(Abramov) -0.2134157E+00 Hb(Abramov) -0.4718986E-01 Ex_ueg -0.4498007E-01 Ec_ueg -0.6713106E-02 Delta_ex -0.4859292E-01 Delta_ec 0.1250716E-01 Delta_et -0.1610502E+00 Pxc 0.6700336E+01 Qxc -0.3885209E+01 3,-1 149 3 -1 0.584999 2.816515 1.800232 Rho 0.1531314E+00 |GRAD(Rho)| 0.4146222E-15 GRAD(Rho)x 0.1859542E-15 GRAD(Rho)y 0.1052625E-15 GRAD(Rho)z -0.3553202E-15 Laplacian 0.6363963E+00 (-1/4)Del**2(Rho)) -0.1590991E+00 Diamond 0.1301636E+01 Metallicity 0.4745980E+01 Ellipticity 0.2821778E-01 Gb(Abramov) 0.2319129E+00 Vb(Abramov) -0.3047267E+00 Hb(Abramov) -0.7281381E-01 Ex_ueg -0.6050678E-01 Ec_ueg -0.8644269E-02 Delta_ex -0.6849350E-01 Delta_ec 0.1571054E-01 Delta_et -0.2088926E+00 Pxc 0.6999641E+01 Qxc -0.4359716E+01 3,-1 150 3 -1 0.855773 -3.021120 2.048880 Rho 0.1451693E+00 |GRAD(Rho)| 0.5258117E-13 GRAD(Rho)x 0.9226913E-14 GRAD(Rho)y 0.3717144E-13 GRAD(Rho)z 0.3602676E-13 Laplacian 0.5710011E+00 (-1/4)Del**2(Rho)) -0.1427503E+00 Diamond 0.1096225E+01 Metallicity 0.4839135E+01 Ellipticity 0.8078800E-01 Gb(Abramov) 0.2102982E+00 Vb(Abramov) -0.2778461E+00 Hb(Abramov) -0.6754789E-01 Ex_ueg -0.5634884E-01 Ec_ueg -0.8135003E-02 Delta_ex -0.6066020E-01 Delta_ec 0.1430259E-01 Delta_et -0.1888477E+00 Pxc 0.6926714E+01 Qxc -0.4241203E+01 3,-1 151 3 -1 1.697419 -0.583456 1.703931 Rho 0.4170856E-01 |GRAD(Rho)| 0.1703727E-12 GRAD(Rho)x -0.5555284E-13 GRAD(Rho)y 0.1513253E-12 GRAD(Rho)z -0.5514901E-13 Laplacian 0.1655644E+00 (-1/4)Del**2(Rho)) -0.4139109E-01 Diamond 0.6411994E-01 Metallicity 0.2087797E+01 Ellipticity 0.4270171E-01 Gb(Abramov) 0.4199676E-01 Vb(Abramov) -0.4260243E-01 Hb(Abramov) -0.6056699E-03 Ex_ueg -0.1068281E-01 Ec_ueg -0.1961959E-02 Delta_ex -0.1294291E-01 Delta_ec 0.4795210E-02 Delta_et -0.4817434E-01 Pxc 0.5444968E+01 Qxc -0.2699134E+01 3,-1 152 3 +1 1.722534 1.775686 1.767281 Rho 0.1235571E-01 |GRAD(Rho)| 0.8719787E-14 GRAD(Rho)x -0.5559743E-14 GRAD(Rho)y 0.6669249E-14 GRAD(Rho)z -0.8031564E-15 Laplacian 0.6181136E-01 (-1/4)Del**2(Rho)) -0.1545284E-01 Diamond 0.2547252E-02 Metallicity 0.7361919E+00 Ellipticity -0.1251588E+01 Gb(Abramov) 0.1219794E-01 Vb(Abramov) -0.8943031E-02 Hb(Abramov) 0.3254904E-02 Ex_ueg -0.2109641E-02 Ec_ueg -0.4760146E-03 Delta_ex -0.3053269E-02 Delta_ec 0.7870269E-03 Delta_et -0.5955204E-02 Pxc 0.4431884E+01 Qxc -0.3879498E+01 3,+1 153 3 -1 0.870049 2.003970 -2.974259 Rho 0.1392879E+00 |GRAD(Rho)| 0.1164039E-13 GRAD(Rho)x -0.8563910E-14 GRAD(Rho)y 0.7155145E-14 GRAD(Rho)z 0.3310889E-14 Laplacian 0.5489081E+00 (-1/4)Del**2(Rho)) -0.1372270E+00 Diamond 0.1001973E+01 Metallicity 0.4698609E+01 Ellipticity 0.7858807E-01 Gb(Abramov) 0.1989474E+00 Vb(Abramov) -0.2606677E+00 Hb(Abramov) -0.6172035E-01 Ex_ueg -0.5332568E-01 Ec_ueg -0.7761354E-02 Delta_ex -0.5771659E-01 Delta_ec 0.1387543E-01 Delta_et -0.1820946E+00 Pxc 0.6870667E+01 Qxc -0.4159625E+01 3,-1 154 3 -1 0.551854 1.826448 2.755918 Rho 0.1358362E+00 |GRAD(Rho)| 0.3515150E-13 GRAD(Rho)x 0.3299241E-14 GRAD(Rho)y -0.3048092E-13 GRAD(Rho)z -0.1719467E-13 Laplacian 0.5635341E+00 (-1/4)Del**2(Rho)) -0.1408835E+00 Diamond 0.9992865E+00 Metallicity 0.4389199E+01 Ellipticity 0.1376549E-01 Gb(Abramov) 0.1969833E+00 Vb(Abramov) -0.2530831E+00 Hb(Abramov) -0.5609981E-01 Ex_ueg -0.5157101E-01 Ec_ueg -0.7543086E-02 Delta_ex -0.5890588E-01 Delta_ec 0.1435656E-01 Delta_et -0.1877560E+00 Pxc 0.6836858E+01 Qxc -0.4103064E+01 3,-1 155 3 +1 1.977616 -2.015268 2.044725 Rho 0.1218536E-01 |GRAD(Rho)| 0.8752609E-16 GRAD(Rho)x -0.4202575E-16 GRAD(Rho)y 0.6437768E-16 GRAD(Rho)z -0.4183499E-16 Laplacian 0.5728234E-01 (-1/4)Del**2(Rho)) -0.1432058E-01 Diamond 0.1845012E-02 Metallicity 0.7762287E+00 Ellipticity -0.1105704E+01 Gb(Abramov) 0.1139973E-01 Vb(Abramov) -0.8478878E-02 Hb(Abramov) 0.2920853E-02 Ex_ueg -0.2070950E-02 Ec_ueg -0.4681326E-03 Delta_ex -0.2685792E-02 Delta_ec 0.4912427E-03 Delta_et -0.3889602E-02 Pxc 0.4423853E+01 Qxc -0.5467344E+01 3,+1 156 3 -1 1.663983 -1.794841 0.462910 Rho 0.4958924E-01 |GRAD(Rho)| 0.1360798E-15 GRAD(Rho)x -0.1030657E-15 GRAD(Rho)y 0.5528118E-16 GRAD(Rho)z 0.6956406E-16 Laplacian 0.1969494E+00 (-1/4)Del**2(Rho)) -0.4923736E-01 Diamond 0.9880515E-01 Metallicity 0.2341914E+01 Ellipticity 0.1310638E-01 Gb(Abramov) 0.5204318E-01 Vb(Abramov) -0.5484900E-01 Hb(Abramov) -0.2805820E-02 Ex_ueg -0.1345556E-01 Ec_ueg -0.2392181E-02 Delta_ex -0.1618123E-01 Delta_ec 0.5874857E-02 Delta_et -0.6181753E-01 Pxc 0.5624806E+01 Qxc -0.2754319E+01 3,-1 157 3 +1 1.499994 -2.023987 -2.009221 Rho 0.6280667E-02 |GRAD(Rho)| 0.4853132E-17 GRAD(Rho)x -0.3455536E-17 GRAD(Rho)y -0.3394655E-17 GRAD(Rho)z 0.2974521E-18 Laplacian 0.2726574E-01 (-1/4)Del**2(Rho)) -0.6816434E-02 Diamond 0.8712788E-03 Metallicity 0.5403462E+00 Ellipticity -0.2908225E+01 Gb(Abramov) 0.5158162E-02 Vb(Abramov) -0.3499890E-02 Hb(Abramov) 0.1658272E-02 Ex_ueg -0.8558403E-03 Ec_ueg -0.2024347E-03 Delta_ex -0.1422568E-02 Delta_ec 0.8673171E-03 Delta_et -0.5039899E-02 Pxc 0.4227735E+01 Qxc -0.1640194E+01 3,+1 158 3 -1 1.836309 2.783344 0.548954 Rho 0.1150081E+00 |GRAD(Rho)| 0.1428020E-15 GRAD(Rho)x 0.1124792E-15 GRAD(Rho)y -0.8703094E-16 GRAD(Rho)z -0.1290201E-16 Laplacian 0.4841665E+00 (-1/4)Del**2(Rho)) -0.1210416E+00 Diamond 0.7153751E+00 Metallicity 0.3871082E+01 Ellipticity 0.1439836E-01 Gb(Abramov) 0.1587881E+00 Vb(Abramov) -0.1965346E+00 Hb(Abramov) -0.3774647E-01 Ex_ueg -0.4130693E-01 Ec_ueg -0.6242832E-02 Delta_ex -0.4879823E-01 Delta_ec 0.1315080E-01 Delta_et -0.1678528E+00 Pxc 0.6616697E+01 Qxc -0.3710668E+01 3,-1 159 3 -1 1.766766 0.540037 2.772658 Rho 0.1306268E+00 |GRAD(Rho)| 0.1482931E-15 GRAD(Rho)x -0.9382415E-16 GRAD(Rho)y 0.8748156E-16 GRAD(Rho)z 0.7439660E-16 Laplacian 0.5457192E+00 (-1/4)Del**2(Rho)) -0.1364298E+00 Diamond 0.9346712E+00 Metallicity 0.4246498E+01 Ellipticity 0.1476998E-01 Gb(Abramov) 0.1875113E+00 Vb(Abramov) -0.2385929E+00 Hb(Abramov) -0.5108154E-01 Ex_ueg -0.4895097E-01 Ec_ueg -0.7215138E-02 Delta_ex -0.5664074E-01 Delta_ec 0.1427881E-01 Delta_et -0.1860837E+00 Pxc 0.6784482E+01 Qxc -0.3966769E+01 3,-1 160 3 -1 2.748926 0.559611 1.827978 Rho 0.1354543E+00 |GRAD(Rho)| 0.7466497E-16 GRAD(Rho)x -0.3750662E-16 GRAD(Rho)y -0.2865004E-16 GRAD(Rho)z 0.5785574E-16 Laplacian 0.5716589E+00 (-1/4)Del**2(Rho)) -0.1429147E+00 Diamond 0.1027360E+01 Metallicity 0.4306563E+01 Ellipticity 0.1183019E-01 Gb(Abramov) 0.1978550E+00 Vb(Abramov) -0.2527953E+00 Hb(Abramov) -0.5494031E-01 Ex_ueg -0.5137779E-01 Ec_ueg -0.7518986E-02 Delta_ex -0.5990922E-01 Delta_ec 0.1492174E-01 Delta_et -0.1957692E+00 Pxc 0.6833075E+01 Qxc -0.4014895E+01 3,-1 161 3 +1 1.300205 1.127233 -2.201957 Rho 0.2883577E-01 |GRAD(Rho)| 0.3014067E-15 GRAD(Rho)x 0.1478531E-15 GRAD(Rho)y -0.8735762E-16 GRAD(Rho)z -0.2476975E-15 Laplacian 0.1183015E+00 (-1/4)Del**2(Rho)) -0.2957538E-01 Diamond 0.2090259E-01 Metallicity 0.1579461E+01 Ellipticity -0.1256409E+02 Gb(Abramov) 0.2750244E-01 Vb(Abramov) -0.2542951E-01 Hb(Abramov) 0.2072934E-02 Ex_ueg -0.6530712E-02 Ec_ueg -0.1283713E-02 Delta_ex -0.7830676E-02 Delta_ec 0.2339043E-02 Delta_et -0.2133104E-01 Pxc 0.5087362E+01 Qxc -0.3347811E+01 3,+1 162 3 -1 1.987992 0.824469 -3.020154 Rho 0.1243901E+00 |GRAD(Rho)| 0.2160824E-15 GRAD(Rho)x -0.1640804E-15 GRAD(Rho)y 0.1338177E-15 GRAD(Rho)z 0.4315125E-16 Laplacian 0.4759486E+00 (-1/4)Del**2(Rho)) -0.1189871E+00 Diamond 0.7816395E+00 Metallicity 0.4487759E+01 Ellipticity 0.2606008E-01 Gb(Abramov) 0.1683224E+00 Vb(Abramov) -0.2176576E+00 Hb(Abramov) -0.4933523E-01 Ex_ueg -0.4585987E-01 Ec_ueg -0.6824884E-02 Delta_ex -0.4898750E-01 Delta_ec 0.1289602E-01 Delta_et -0.1672330E+00 Pxc 0.6719510E+01 Qxc -0.3798652E+01 3,-1 163 3 -1 1.751819 1.676384 -0.575951 Rho 0.3905067E-01 |GRAD(Rho)| 0.8609109E-16 GRAD(Rho)x 0.5591328E-16 GRAD(Rho)y 0.6361641E-16 GRAD(Rho)z 0.1543802E-16 Laplacian 0.1539160E+00 (-1/4)Del**2(Rho)) -0.3847900E-01 Diamond 0.5431294E-01 Metallicity 0.2012382E+01 Ellipticity 0.3014995E-01 Gb(Abramov) 0.3855840E-01 Vb(Abramov) -0.3863781E-01 Hb(Abramov) -0.7940509E-04 Ex_ueg -0.9784901E-02 Ec_ueg -0.1819237E-02 Delta_ex -0.1182500E-01 Delta_ec 0.4439609E-02 Delta_et -0.4382156E-01 Pxc 0.5378574E+01 Qxc -0.2663524E+01 3,-1 164 3 -1 1.770315 -2.964803 -0.548264 Rho 0.2211967E+00 |GRAD(Rho)| 0.5124540E-14 GRAD(Rho)x 0.3827884E-14 GRAD(Rho)y 0.1597680E-14 GRAD(Rho)z 0.3009257E-14 Laplacian 0.8643662E+00 (-1/4)Del**2(Rho)) -0.2160915E+00 Diamond 0.2737148E+01 Metallicity 0.6449806E+01 Ellipticity 0.2263828E-01 Gb(Abramov) 0.3763524E+00 Vb(Abramov) -0.5366133E+00 Hb(Abramov) -0.1602609E+00 Ex_ueg -0.9879995E-01 Ec_ueg -0.1314899E-01 Delta_ex -0.1020394E+00 Delta_ec 0.1919270E-01 Delta_et -0.2634499E+00 Pxc 0.7513880E+01 Qxc -0.5316576E+01 3,-1 165 3 -1 1.964325 -3.031180 0.869022 Rho 0.1197802E+00 |GRAD(Rho)| 0.2376054E-15 GRAD(Rho)x -0.2556007E-16 GRAD(Rho)y 0.2082075E-15 GRAD(Rho)z 0.1115915E-15 Laplacian 0.4603012E+00 (-1/4)Del**2(Rho)) -0.1150753E+00 Diamond 0.7215999E+00 Metallicity 0.4357250E+01 Ellipticity 0.2233494E-01 Gb(Abramov) 0.1602855E+00 Vb(Abramov) -0.2054958E+00 Hb(Abramov) -0.4521022E-01 Ex_ueg -0.4360788E-01 Ec_ueg -0.6538119E-02 Delta_ex -0.4694260E-01 Delta_ec 0.1256314E-01 Delta_et -0.1618085E+00 Pxc 0.6669789E+01 Qxc -0.3736533E+01 3,-1 166 3 +3 1.954884 1.921710 -1.924210 Rho 0.1190180E-01 |GRAD(Rho)| 0.2182801E-16 GRAD(Rho)x 0.4683119E-17 GRAD(Rho)y -0.1283476E-16 GRAD(Rho)z 0.1702348E-16 Laplacian 0.5521071E-01 (-1/4)Del**2(Rho)) -0.1380268E-01 Diamond 0.1425041E-02 Metallicity 0.7743626E+00 Ellipticity -0.8666955E+00 Gb(Abramov) 0.1098316E-01 Vb(Abramov) -0.8163652E-02 Hb(Abramov) 0.2819513E-02 Ex_ueg -0.2006944E-02 Ec_ueg -0.4550377E-03 Delta_ex -0.2485212E-02 Delta_ec 0.3189085E-03 Delta_et -0.2693452E-02 Pxc 0.4410501E+01 Qxc -0.7792868E+01 3,+3 167 3 -1 2.003703 2.984508 -0.840842 Rho 0.1456912E+00 |GRAD(Rho)| 0.1578413E-15 GRAD(Rho)x -0.8730538E-16 GRAD(Rho)y 0.9626360E-16 GRAD(Rho)z -0.8958220E-16 Laplacian 0.5682224E+00 (-1/4)Del**2(Rho)) -0.1420556E+00 Diamond 0.1116894E+01 Metallicity 0.4891972E+01 Ellipticity 0.3792140E-01 Gb(Abramov) 0.2105257E+00 Vb(Abramov) -0.2789958E+00 Hb(Abramov) -0.6847013E-01 Ex_ueg -0.5661911E-01 Ec_ueg -0.8168265E-02 Delta_ex -0.6063877E-01 Delta_ec 0.1461396E-01 Delta_et -0.1939440E+00 Pxc 0.6931595E+01 Qxc -0.4149372E+01 3,-1 168 3 +3 2.331252 -0.014084 0.025940 Rho 0.4305339E-02 |GRAD(Rho)| 0.9510360E-11 GRAD(Rho)x 0.3614869E-11 GRAD(Rho)y -0.6181548E-11 GRAD(Rho)z -0.6258445E-11 Laplacian 0.1777107E-01 (-1/4)Del**2(Rho)) -0.4442769E-02 Diamond 0.1525933E-03 Metallicity 0.4418196E+00 Ellipticity -0.2265528E+00 Gb(Abramov) 0.3288996E-02 Vb(Abramov) -0.2135224E-02 Hb(Abramov) 0.1153772E-02 Ex_ueg -0.5172829E-03 Ec_ueg -0.1171423E-03 Delta_ex -0.6474517E-03 Delta_ec 0.1824160E-03 Delta_et -0.1101680E-02 Pxc 0.4415852E+01 Qxc -0.3549313E+01 3,+3 169 3 -1 2.726164 -1.851401 -0.605042 Rho 0.1412942E+00 |GRAD(Rho)| 0.1831993E-15 GRAD(Rho)x -0.3020181E-16 GRAD(Rho)y 0.1177037E-15 GRAD(Rho)z -0.1370974E-15 Laplacian 0.5831921E+00 (-1/4)Del**2(Rho)) -0.1457980E+00 Diamond 0.1102399E+01 Metallicity 0.4529066E+01 Ellipticity 0.6426060E-02 Gb(Abramov) 0.2072535E+00 Vb(Abramov) -0.2687090E+00 Hb(Abramov) -0.6145547E-01 Ex_ueg -0.5435224E-01 Ec_ueg -0.7888566E-02 Delta_ex -0.6174575E-01 Delta_ec 0.1506387E-01 Delta_et -0.1989089E+00 Pxc 0.6890002E+01 Qxc -0.4098929E+01 3,-1 170 3 +1 2.142941 -1.403528 1.068343 Rho 0.2763756E-01 |GRAD(Rho)| 0.1900815E-13 GRAD(Rho)x 0.7611315E-14 GRAD(Rho)y -0.1423827E-13 GRAD(Rho)z -0.1003241E-13 Laplacian 0.1090333E+00 (-1/4)Del**2(Rho)) -0.2725832E-01 Diamond 0.1613665E-01 Metallicity 0.1596689E+01 Ellipticity -0.3732033E+01 Gb(Abramov) 0.2542605E-01 Vb(Abramov) -0.2359379E-01 Hb(Abramov) 0.1832263E-02 Ex_ueg -0.6171414E-02 Ec_ueg -0.1222407E-02 Delta_ex -0.6943579E-02 Delta_ec 0.1810175E-02 Delta_et -0.1637855E-01 Pxc 0.5048577E+01 Qxc -0.3835861E+01 3,+1 171 3 -1 2.742900 -0.635850 -1.843922 Rho 0.1374909E+00 |GRAD(Rho)| 0.7000474E-14 GRAD(Rho)x -0.2159121E-14 GRAD(Rho)y -0.6547592E-14 GRAD(Rho)z -0.1214035E-14 Laplacian 0.5652009E+00 (-1/4)Del**2(Rho)) -0.1413002E+00 Diamond 0.1037483E+01 Metallicity 0.4465467E+01 Ellipticity 0.5740577E-02 Gb(Abramov) 0.1993621E+00 Vb(Abramov) -0.2574239E+00 Hb(Abramov) -0.5806184E-01 Ex_ueg -0.5241034E-01 Ec_ueg -0.7647625E-02 Delta_ex -0.5948472E-01 Delta_ec 0.1476708E-01 Delta_et -0.1943257E+00 Pxc 0.6853152E+01 Qxc -0.4028198E+01 3,-1 172 3 -1 2.963123 -0.861202 2.011868 Rho 0.1726218E+00 |GRAD(Rho)| 0.1573698E-13 GRAD(Rho)x -0.6887462E-14 GRAD(Rho)y -0.6582869E-14 GRAD(Rho)z -0.1252522E-13 Laplacian 0.6724290E+00 (-1/4)Del**2(Rho)) -0.1681072E+00 Diamond 0.1607738E+01 Metallicity 0.5484363E+01 Ellipticity 0.5139057E-01 Gb(Abramov) 0.2657317E+00 Vb(Abramov) -0.3633561E+00 Hb(Abramov) -0.9762445E-01 Ex_ueg -0.7098708E-01 Ec_ueg -0.9907036E-02 Delta_ex -0.7472922E-01 Delta_ec 0.1638460E-01 Delta_et -0.2218002E+00 Pxc 0.7165319E+01 Qxc -0.4560942E+01 3,-1 173 3 -1 2.785863 1.806976 0.568576 Rho 0.1417623E+00 |GRAD(Rho)| 0.2481119E-14 GRAD(Rho)x -0.1294436E-15 GRAD(Rho)y 0.1831583E-14 GRAD(Rho)z -0.1668682E-14 Laplacian 0.5946678E+00 (-1/4)Del**2(Rho)) -0.1486669E+00 Diamond 0.1126935E+01 Metallicity 0.4466221E+01 Ellipticity 0.1220858E-01 Gb(Abramov) 0.2097745E+00 Vb(Abramov) -0.2708821E+00 Hb(Abramov) -0.6110760E-01 Ex_ueg -0.5459249E-01 Ec_ueg -0.7918289E-02 Delta_ex -0.6299399E-01 Delta_ec 0.1531659E-01 Delta_et -0.2022798E+00 Pxc 0.6894481E+01 Qxc -0.4112793E+01 3,-1 174 3 -1 3.042267 1.994071 -0.851989 Rho 0.1855871E+00 |GRAD(Rho)| 0.1166393E-14 GRAD(Rho)x -0.5381437E-15 GRAD(Rho)y 0.7793516E-15 GRAD(Rho)z 0.6807976E-15 Laplacian 0.7216451E+00 (-1/4)Del**2(Rho)) -0.1804113E+00 Diamond 0.1880836E+01 Metallicity 0.5765926E+01 Ellipticity 0.4920718E-01 Gb(Abramov) 0.2936472E+00 Vb(Abramov) -0.4068831E+00 Hb(Abramov) -0.1132359E+00 Ex_ueg -0.7818355E-01 Ec_ueg -0.1075933E-01 Delta_ex -0.8166392E-01 Delta_ec 0.1723322E-01 Delta_et -0.2350073E+00 Pxc 0.7266578E+01 Qxc -0.4738750E+01 3,-1 175 3 -1 2.923169 -2.013079 0.830182 Rho 0.9191247E-01 |GRAD(Rho)| 0.1316194E-15 GRAD(Rho)x -0.1009646E-15 GRAD(Rho)y -0.5844866E-16 GRAD(Rho)z -0.6093894E-16 Laplacian 0.3655545E+00 (-1/4)Del**2(Rho)) -0.9138862E-01 Diamond 0.4073747E+00 Metallicity 0.3528730E+01 Ellipticity 0.4519423E-02 Gb(Abramov) 0.1146734E+00 Vb(Abramov) -0.1379581E+00 Hb(Abramov) -0.2328476E-01 Ex_ueg -0.3063498E-01 Ec_ueg -0.4837800E-02 Delta_ex -0.3487299E-01 Delta_ec 0.1027093E-01 Delta_et -0.1252959E+00 Pxc 0.6332420E+01 Qxc -0.3395309E+01 3,-1 176 3 -1 2.908928 -0.015051 0.033715 Rho 0.4917297E-02 |GRAD(Rho)| 0.7315508E-17 GRAD(Rho)x 0.5368163E-18 GRAD(Rho)y -0.6917486E-17 GRAD(Rho)z -0.2318810E-17 Laplacian 0.1968163E-01 (-1/4)Del**2(Rho)) -0.4920408E-02 Diamond 0.5052627E-03 Metallicity 0.4978472E+00 Ellipticity 0.1048149E+02 Gb(Abramov) 0.3688541E-02 Vb(Abramov) -0.2456673E-02 Hb(Abramov) 0.1231868E-02 Ex_ueg -0.6175711E-03 Ec_ueg -0.1433555E-03 Delta_ex -0.1029018E-02 Delta_ec 0.7154699E-03 Delta_et -0.3827419E-02 Pxc 0.4307970E+01 Qxc -0.1438241E+01 3,-1 177 3 -1 3.240233 3.194284 0.052160 Rho 0.2402812E+00 |GRAD(Rho)| 0.7676855E-12 GRAD(Rho)x -0.5181620E-12 GRAD(Rho)y -0.5422720E-12 GRAD(Rho)z -0.1636775E-12 Laplacian 0.8724990E+00 (-1/4)Del**2(Rho)) -0.2181247E+00 Diamond 0.3092005E+01 Metallicity 0.7334681E+01 Ellipticity 0.3320917E-02 Gb(Abramov) 0.4120624E+00 Vb(Abramov) -0.6060001E+00 Hb(Abramov) -0.1939377E+00 Ex_ueg -0.1103261E+00 Ec_ueg -0.1445855E-01 Delta_ex -0.1054578E+00 Delta_ec 0.1928532E-01 Delta_et -0.2672244E+00 Pxc 0.7630504E+01 Qxc -0.5468296E+01 3,-1 178 3 -1 3.237144 -0.091146 -3.218785 Rho 0.2332127E+00 |GRAD(Rho)| 0.5983092E-15 GRAD(Rho)x -0.4269588E-15 GRAD(Rho)y 0.6404924E-16 GRAD(Rho)z 0.4142194E-15 Laplacian 0.8583230E+00 (-1/4)Del**2(Rho)) -0.2145808E+00 Diamond 0.2931138E+01 Metallicity 0.7093864E+01 Ellipticity 0.1855669E-01 Gb(Abramov) 0.3967549E+00 Vb(Abramov) -0.5789291E+00 Hb(Abramov) -0.1821742E+00 Ex_ueg -0.1060201E+00 Ec_ueg -0.1397119E-01 Delta_ex -0.1029218E+00 Delta_ec 0.1910726E-01 Delta_et -0.2643191E+00 Pxc 0.7588477E+01 Qxc -0.5386527E+01 3,-1 179 3 -1 3.163260 0.043673 3.221783 Rho 0.2403672E+00 |GRAD(Rho)| 0.4483877E-15 GRAD(Rho)x 0.4406198E-15 GRAD(Rho)y 0.3916680E-16 GRAD(Rho)z 0.7329207E-16 Laplacian 0.8756271E+00 (-1/4)Del**2(Rho)) -0.2189068E+00 Diamond 0.3102316E+01 Metallicity 0.7312840E+01 Ellipticity 0.4576055E-02 Gb(Abramov) 0.4127429E+00 Vb(Abramov) -0.6065790E+00 Hb(Abramov) -0.1938361E+00 Ex_ueg -0.1103787E+00 Ec_ueg -0.1446450E-01 Delta_ex -0.1058346E+00 Delta_ec 0.1933237E-01 Delta_et -0.2677912E+00 Pxc 0.7631008E+01 Qxc -0.5474474E+01 3,-1 180 3 -1 2.977830 0.804900 -2.008911 Rho 0.7952151E-01 |GRAD(Rho)| 0.2658172E-12 GRAD(Rho)x -0.8191178E-13 GRAD(Rho)y -0.1953180E-12 GRAD(Rho)z -0.1606242E-12 Laplacian 0.3193541E+00 (-1/4)Del**2(Rho)) -0.7983852E-01 Diamond 0.2975339E+00 Metallicity 0.3173085E+01 Ellipticity 0.1491949E-02 Gb(Abramov) 0.9544809E-01 Vb(Abramov) -0.1110577E+00 Hb(Abramov) -0.1560956E-01 Ex_ueg -0.2525600E-01 Ec_ueg -0.4102267E-02 Delta_ex -0.2944689E-01 Delta_ec 0.9203973E-02 Delta_et -0.1087972E+00 Pxc 0.6156596E+01 Qxc -0.3199367E+01 3,-1 181 3 -1 -0.813553 -3.495469 -1.259612 Rho 0.3146524E+00 |GRAD(Rho)| 0.6813298E-15 GRAD(Rho)x 0.6103008E-15 GRAD(Rho)y -0.2867330E-15 GRAD(Rho)z -0.9760856E-16 Laplacian -0.1630587E+01 (-1/4)Del**2(Rho)) 0.4076467E+00 Diamond 0.5554563E+01 Metallicity -0.6151594E+01 Ellipticity 0.2540307E-02 Gb(Abramov) 0.1461817E+00 Vb(Abramov) -0.7000101E+00 Hb(Abramov) -0.5538284E+00 Ex_ueg -0.1580616E+00 Ec_ueg -0.1975255E-01 Delta_ex 0.1614179E+00 Delta_ec 0.5669272E-01 Delta_et -0.1337174E+01 Pxc 0.8002089E+01 Qxc 0.2847242E+01 3,-1 182 3 -1 -2.157965 -0.872723 -3.308543 Rho 0.2232818E+00 |GRAD(Rho)| 0.9330134E-15 GRAD(Rho)x -0.2722974E-15 GRAD(Rho)y 0.5932212E-15 GRAD(Rho)z 0.6666759E-15 Laplacian 0.8538678E+00 (-1/4)Del**2(Rho)) -0.2134669E+00 Diamond 0.2739145E+01 Metallicity 0.6632006E+01 Ellipticity 0.1716522E-01 Gb(Abramov) 0.3782636E+00 Vb(Abramov) -0.5430603E+00 Hb(Abramov) -0.1647967E+00 Ex_ueg -0.1000437E+00 Ec_ueg -0.1329110E-01 Delta_ex -0.1010726E+00 Delta_ec 0.1895586E-01 Delta_et -0.2605074E+00 Pxc 0.7527119E+01 Qxc -0.5331999E+01 3,-1 183 3 -1 1.944610 -0.855070 3.017392 Rho 0.1459477E+00 |GRAD(Rho)| 0.4908217E-15 GRAD(Rho)x 0.3692386E-15 GRAD(Rho)y 0.2786671E-15 GRAD(Rho)z -0.1640533E-15 Laplacian 0.5719216E+00 (-1/4)Del**2(Rho)) -0.1429804E+00 Diamond 0.1126034E+01 Metallicity 0.4874595E+01 Ellipticity 0.4184838E-01 Gb(Abramov) 0.2114822E+00 Vb(Abramov) -0.2799840E+00 Hb(Abramov) -0.6850179E-01 Ex_ueg -0.5675200E-01 Ec_ueg -0.8184612E-02 Delta_ex -0.6105454E-01 Delta_ec 0.1469339E-01 Delta_et -0.1950273E+00 Pxc 0.6933988E+01 Qxc -0.4155240E+01 3,-1 184 3 -1 1.861547 -0.619172 -3.004137 Rho 0.2366479E+00 |GRAD(Rho)| 0.2413738E-15 GRAD(Rho)x -0.4304283E-16 GRAD(Rho)y -0.2321277E-15 GRAD(Rho)z -0.5025277E-16 Laplacian 0.9046105E+00 (-1/4)Del**2(Rho)) -0.2261526E+00 Diamond 0.3116372E+01 Metallicity 0.6896932E+01 Ellipticity 0.1366354E-01 Gb(Abramov) 0.4107283E+00 Vb(Abramov) -0.5953039E+00 Hb(Abramov) -0.1845757E+00 Ex_ueg -0.1081074E+00 Ec_ueg -0.1420770E-01 Delta_ex -0.1087361E+00 Delta_ec 0.1978338E-01 Delta_et -0.2726664E+00 Pxc 0.7609068E+01 Qxc -0.5496336E+01 3,-1 185 3 -1 3.173931 -3.234301 -0.077736 Rho 0.2347647E+00 |GRAD(Rho)| 0.2009138E-10 GRAD(Rho)x 0.1522668E-10 GRAD(Rho)y -0.1294571E-10 GRAD(Rho)z -0.2054421E-11 Laplacian 0.8681905E+00 (-1/4)Del**2(Rho)) -0.2170476E+00 Diamond 0.2982381E+01 Metallicity 0.7091194E+01 Ellipticity 0.1501834E-01 Gb(Abramov) 0.4012196E+00 Vb(Abramov) -0.5853915E+00 Hb(Abramov) -0.1841719E+00 Ex_ueg -0.1069618E+00 Ec_ueg -0.1407796E-01 Delta_ex -0.1042509E+00 Delta_ec 0.1922858E-01 Delta_et -0.2658074E+00 Pxc 0.7597819E+01 Qxc -0.5421666E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 113 121 114 147 150 132 141 109 123 129 145 131 119 153 148 136 134 154 149 117 120 137 156 169 164 175 165 185 163 173 158 174 167 177 85 74 88 76 89 65 82 84 80 62 77 60 105 72 95 63 182 70 59 68 92 73 98 69 151 160 159 172 183 179 144 171 184 180 162 178 83 55 176 143 122 124 67 112 181 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 17 18 21 21 22 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 19 20 28 36 24 27 52 52 2.414083 1.984309 1.896285 1.981000 1.912464 1.731702 1.713525 1.690084 1.713124 1.717863 2.385304 1.923659 1.957361 1.929279 1.981634 1.731537 2.444538 1.929894 1.880953 2.039384 1.916093 1.734682 2.373170 1.936218 1.772428 2.122047 2.015088 1.751808 2.473210 1.934125 2.018050 1.841896 1.935981 1.743156 2.376169 1.819868 1.937377 1.968583 2.031246 1.749058 2.315264 1.913219 2.012677 1.912991 1.939566 1.741494 2.368895 2.204391 1.973435 2.005022 1.743535 1.744904 2.391721 1.986101 1.906153 1.949203 1.894103 1.742383 2.445114 1.951597 1.968309 1.870532 1.934971 1.742966 2.398215 1.947023 1.749047 2.179958 2.000259 1.754490 3.167544 3.189932 3.325026 3.118975 3.217399 3.222802 3.228011 1.811467 1.001160 2.415625 1.984890 1.896992 1.981834 1.913219 1.731720 1.713537 1.690133 1.713140 1.717871 2.387026 1.924209 1.958017 1.930076 1.982461 1.731558 2.446278 1.930450 1.881450 2.040119 1.916828 1.734697 2.374801 1.936647 1.772532 2.122629 2.015686 1.751829 2.474862 1.934572 2.018474 1.842252 1.936576 1.743169 2.377666 1.820172 1.937780 1.969158 2.031763 1.749073 2.317431 1.913757 2.013135 1.913625 1.940841 1.741511 2.371330 2.204930 1.973998 2.005791 1.743578 1.744940 2.393511 1.986489 1.906700 1.949829 1.894606 1.742391 2.446789 1.952000 1.968791 1.870987 1.935554 1.742976 2.400027 1.947412 1.749079 2.180526 2.000867 1.754518 3.172765 3.200080 3.329605 3.141591 3.219998 3.228780 3.232285 1.814074 1.001281 31 26 27 27 25 23 22 24 22 22 30 28 26 26 27 23 33 26 26 28 28 24 28 27 24 29 25 24 29 26 25 25 25 24 30 24 27 26 28 24 30 27 27 27 28 23 30 28 27 27 24 24 30 27 28 28 28 24 29 25 25 26 26 24 30 27 24 29 25 25 35 35 35 35 35 35 35 27 23 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Mo As Mo Mo W W W W Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.3278 2.4560 2.3200 2.3267 2.3768 2.4378 2.4447 2.4446 2.2487 2.4529 2.4477 2.3403 -1.1239 -1.0301 -1.1206 -1.1179 -0.9564 -0.9913 -0.9107 -0.9697 -0.7618 -0.9311 -0.9218 -0.9300 -0.9325 -0.9223 -0.9182 -0.8273 -0.9603 -0.9567 -0.9460 -0.9762 -0.9388 -0.9356 -0.9388 -0.7119 -0.7967 -0.9363 -0.9309 -0.9360 -0.7246 -0.8336 -0.7199 -0.7370 -0.8267 -0.8070 -0.8214 -0.7926 -0.7465 -0.8028 -0.8065 0.3243 1.9561 0.8300 1.9599 1.9680 2.1220 2.0983 2.0918 2.1140 1.9974 2.0910 2.0941 2.1313 1.9367 1.9488 1.9382 1.9343 1.9324 1.9302 1.9449 1.9306 1.9679 1.9355 1.9387 1.9345 1.9353 1.9372 1.9389 1.9639 1.9451 1.9425 1.9475 1.9425 1.9423 1.9442 1.9435 1.9717 1.8781 1.9454 1.9450 1.9423 1.9748 1.9588 1.9752 1.9734 1.9600 1.9630 1.9606 1.9642 1.9695 1.9635 1.9630 0.5309 6.0735 1.1651 6.0770 6.0680 6.1119 6.0962 6.0909 6.1048 6.0820 6.0950 6.0960 6.1175 5.1498 5.0439 5.1452 5.1464 4.9947 5.0320 4.9361 5.0098 4.7580 4.9688 4.9581 4.9675 4.9696 4.9571 4.9515 4.8305 4.9853 4.9846 4.9678 5.0024 4.9672 4.9624 4.9655 4.7088 4.8883 4.9632 4.9565 4.9644 4.7169 4.8417 4.7117 4.7313 4.8333 4.8091 4.8270 4.7934 4.7461 4.8045 4.8087 0.1448 3.6426 10.5488 3.6431 3.6373 3.3606 3.3386 3.3431 3.3073 3.6718 3.3317 3.3330 3.3827 0.0374 0.0374 0.0371 0.0372 0.0294 0.0292 0.0297 0.0293 0.0358 0.0269 0.0250 0.0280 0.0275 0.0280 0.0277 0.0329 0.0298 0.0296 0.0306 0.0313 0.0293 0.0290 0.0299 0.0314 0.0303 0.0277 0.0295 0.0293 0.0329 0.0330 0.0330 0.0323 0.0334 0.0349 0.0338 0.0349 0.0309 0.0349 0.0348 0.0000 0.0000 0.0000 0.0000 0.0000 14.0286 14.0291 14.0295 14.0292 0.0000 14.0294 14.0292 14.0282 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Mo As Mo Mo W W W W Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 3.174266 2.314495 3.173102 3.173894 2.477564 2.499954 2.494140 2.525972 3.154283 2.507035 2.504756 2.465678 -1.131087 -1.075138 -1.131728 -1.130721 -0.965949 -0.983438 -1.011419 -0.970269 -0.824834 -1.090650 -1.194985 -1.069820 -1.081746 -1.085340 -1.093355 -0.805168 -0.955065 -1.051291 -0.947757 -0.958450 -1.059590 -1.067757 -1.044285 -0.985489 -0.615571 -1.080781 -1.071874 -1.058397 -0.997132 -0.879837 -0.991510 -1.011446 -0.871758 -0.844487 -0.862852 -0.827080 -1.019468 -0.839202 -0.844270 0.065855 2.359740 1.712442 2.366193 2.359754 1.918045 1.943750 1.934898 1.964424 2.351874 1.941283 1.940400 1.929339 -0.785948 -0.773704 -0.791973 -0.795504 -0.719844 -0.728550 -0.811333 -0.721588 -0.712011 -0.828589 -0.921527 -0.825043 -0.823177 -0.826209 -0.840525 -0.663494 -0.804225 -0.855534 -0.800753 -0.787072 -0.868471 -0.867191 -0.870175 -0.777589 -0.793673 -0.886742 -0.873170 -0.864643 -0.778113 -0.785318 -0.771427 -0.793495 -0.776625 -0.740528 -0.758976 -0.712752 -0.813100 -0.735864 -0.743333 0.305646 2.449410 1.680201 2.459483 2.447138 2.007496 2.042396 2.033008 2.067787 2.451173 2.042988 2.044059 2.011221 -0.827850 -0.824804 -0.837518 -0.837087 -0.812366 -0.813744 -0.864761 -0.817466 -0.721521 -0.907606 -1.020278 -0.896738 -0.902093 -0.934240 -0.913201 -0.733285 -0.836645 -0.897734 -0.826083 -0.831592 -0.899104 -0.913931 -0.898153 -0.762389 -0.803922 -0.921544 -0.913415 -0.895200 -0.738754 -0.755531 -0.734423 -0.756498 -0.741040 -0.706591 -0.722449 -0.690090 -0.803269 -0.700756 -0.709198 0.386505 -1.40833212 -0.86722534 0.48685909 1.72409713 -23.24390531 5.63378313 2.75319215 14.20346647 5.04673940 9.04043884 -360.0869 408.3243 -75.5045 -378.4525 -42.7095 -448.4291 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Jun10-2024 15:28:34 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Jun10-2024 15:28:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:50 Nodes: 1 Procs: 1 Jun10-2024 15:28:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:00 Nodes: 1 Procs: 1 Jun10-2024 15:29:06 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:30 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -15.88468012 -16.29547350 -16.15386518 -16.20955464 -16.36645872 -16.41078962 -16.44997021 -16.45435083 -16.45776644 -16.46100091 -16.46692083 -16.47100071 -16.47025103 -16.47414193 -16.47773790 -16.47847992 -16.47902361 -16.47911194 -16.47920087 -16.47928630 -16.47934846 -16.47940599 -16.47942917 -16.47944980 -16.47945687 -16.47946282 -16.47946668 GEOMETRY CONVERGED